3-[2-chloro-4-[(3-chloro-4-cyclopentyloxyphenyl)methyl]phenoxy]pyrrolidine;3-[4-[(4-cyclopentyloxy-3-methylphenyl)methyl]-2-methylphenoxy]pyrrolidine;methane;1-methyl-3-[2-methyl-4-[[3-methyl-4-(1-methylpyrrolidin-3-yl)oxyphenyl]methyl]phenoxy]pyrrolidine

C72H94Cl2N4O6 — CID 161435196

IUPAC3-[2-chloro-4-[(3-chloro-4-cyclopentyloxyphenyl)methyl]phenoxy]pyrrolidine;3-[4-[(4-cyclopentyloxy-3-methylphenyl)methyl]-2-methylphenoxy]pyrrolidine;methane;1-methyl-3-[2-methyl-4-[[3-methyl-4-(1-methylpyrrolidin-3-yl)oxyphenyl]methyl]phenoxy]pyrrolidine
SMILESC.Cc1cc(Cc2ccc(OC3CCN(C)C3)c(C)c2)ccc1OC1CCN(C)C1.Cc1cc(Cc2ccc(OC3CCNC3)c(C)c2)ccc1OC1CCCC1.Clc1cc(Cc2ccc(OC3CCNC3)c(Cl)c2)ccc1OC1CCCC1
InChIInChI=1S/C25H34N2O2.C24H31NO2.C22H25Cl2NO2.CH4/c1-18-13-20(5-7-24(18)28-22-9-11-26(3)16-22)15-21-6-8-25(19(2)14-21)29-23-10-12-27(4)17-23;1-17-13-19(7-9-23(17)26-21-5-3-4-6-21)15-20-8-10-24(18(2)14-20)27-22-11-12-25-16-22;23-19-12-15(5-7-21(19)26-17-3-1-2-4-17)11-16-6-8-22(20(24)13-16)27-18-9-10-25-14-18;/h5-8,13-14,22-23H,9-12,15-17H2,1-4H3;7-10,13-14,21-22,25H,3-6,11-12,15-16H2,1-2H3;5-8,12-13,17-18,25H,1-4,9-11,14H2;1H4
InChIKeyVYNZQPJXZREFAQ-UHFFFAOYSA-N
MW1182.47 g/mol
LogP15.30
Rot. Bonds18

About 3-[2-chloro-4-[(3-chloro-4-cyclopentyloxyphenyl)methyl]phenoxy]pyrrolidine;3-[4-[(4-cyclopentyloxy-3-methylphenyl)methyl]-2-methylphenoxy]pyrrolidine;methane;1-methyl-3-[2-methyl-4-[[3-methyl-4-(1-methylpyrrolidin-3-yl)oxyphenyl]methyl]phenoxy]pyrrolidine

3-[2-chloro-4-[(3-chloro-4-cyclopentyloxyphenyl)methyl]phenoxy]pyrrolidine;3-[4-[(4-cyclopentyloxy-3-methylphenyl)methyl]-2-methylphenoxy]pyrrolidine;methane;1-methyl-3-[2-methyl-4-[[3-methyl-4-(1-methylpyrrolidin-3-yl)oxyphenyl]methyl]phenoxy]pyrrolidine (PubChem CID 161435196) has the molecular formula C72H94Cl2N4O6 and a molecular weight of 1182.47 g/mol. Its IUPAC name is 3-[2-chloro-4-[(3-chloro-4-cyclopentyloxyphenyl)methyl]phenoxy]pyrrolidine;3-[4-[(4-cyclopentyloxy-3-methylphenyl)methyl]-2-methylphenoxy]pyrrolidine;methane;1-methyl-3-[2-methyl-4-[[3-methyl-4-(1-methylpyrrolidin-3-yl)oxyphenyl]methyl]phenoxy]pyrrolidine.

Molecular Properties

Compound Name3-[2-chloro-4-[(3-chloro-4-cyclopentyloxyphenyl)methyl]phenoxy]pyrrolidine;3-[4-[(4-cyclopentyloxy-3-methylphenyl)methyl]-2-methylphenoxy]pyrrolidine;methane;1-methyl-3-[2-methyl-4-[[3-methyl-4-(1-methylpyrrolidin-3-yl)oxyphenyl]methyl]phenoxy]pyrrolidine
PubChem CID161435196
Molecular FormulaC72H94Cl2N4O6
Molecular Weight1182.47 g/mol
Exact Mass1180.66
IUPAC Name3-[2-chloro-4-[(3-chloro-4-cyclopentyloxyphenyl)methyl]phenoxy]pyrrolidine;3-[4-[(4-cyclopentyloxy-3-methylphenyl)methyl]-2-methylphenoxy]pyrrolidine;methane;1-methyl-3-[2-methyl-4-[[3-methyl-4-(1-methylpyrrolidin-3-yl)oxyphenyl]methyl]phenoxy]pyrrolidine
SMILESC.Cc1cc(Cc2ccc(OC3CCN(C)C3)c(C)c2)ccc1OC1CCN(C)C1.Cc1cc(Cc2ccc(OC3CCNC3)c(C)c2)ccc1OC1CCCC1.Clc1cc(Cc2ccc(OC3CCNC3)c(Cl)c2)ccc1OC1CCCC1
InChIInChI=1S/C25H34N2O2.C24H31NO2.C22H25Cl2NO2.CH4/c1-18-13-20(5-7-24(18)28-22-9-11-26(3)16-22)15-21-6-8-25(19(2)14-21)29-23-10-12-27(4)17-23;1-17-13-19(7-9-23(17)26-21-5-3-4-6-21)15-20-8-10-24(18(2)14-20)27-22-11-12-25-16-22;23-19-12-15(5-7-21(19)26-17-3-1-2-4-17)11-16-6-8-22(20(24)13-16)27-18-9-10-25-14-18;/h5-8,13-14,22-23H,9-12,15-17H2,1-4H3;7-10,13-14,21-22,25H,3-6,11-12,15-16H2,1-2H3;5-8,12-13,17-18,25H,1-4,9-11,14H2;1H4
InChIKeyVYNZQPJXZREFAQ-UHFFFAOYSA-N
XLogP15.30
TPSA85.92 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds18
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001182.47
LogP ≤ 515.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 3-[2-chloro-4-[(3-chloro-4-cyclopentyloxyphenyl)methyl]phenoxy]pyrrolidine;3-[4-[(4-cyclopentyloxy-3-methylphenyl)methyl]-2-methylphenoxy]pyrrolidine;methane;1-methyl-3-[2-methyl-4-[[3-methyl-4-(1-methylpyrrolidin-3-yl)oxyphenyl]methyl]phenoxy]pyrrolidine with MolForge

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Related Compounds

(3S)-3-(2-chloro-4-ethylphenoxy)pyrrolidine
CID 86322321
O-[[3-chloro-4-(1-methylpyrrolidin-3-yl)oxyphenyl]methyl]hydroxylamine
CID 117395405
3-(2-chloro-4-ethylphenoxy)piperidine;hydrochloride
CID 56830828
4-[(3-chloro-4-cyclopentyloxyphenyl)methyl]piperidine
CID 117474203
2-[3-chloro-4-(1-methylpyrrolidin-3-yl)oxyphenyl]morpholine
CID 117478225
3-(2-chloro-4-pyrrolidin-2-ylphenoxy)-1-methylpyrrolidine
CID 117450926
(3R)-3-(2-chloro-4-methoxyphenoxy)pyrrolidine
CID 86322342
3-methyl-4-(1-methylpyrrolidin-3-yl)oxyaniline
CID 171834819
3-(2-chloro-4-propan-2-ylphenoxy)pyrrolidine
CID 56830812
3-chloro-4-(1-methylpyrrolidin-3-yl)oxybenzoic acid
CID 115005380
(3R)-3-[4-[(2S)-butan-2-yl]-2-chlorophenoxy]pyrrolidine
CID 86322289
3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]pyrrolidine
CID 174896705

Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-4-[(3-chloro-4-cyclopentyloxyphenyl)methyl]phenoxy]pyrrolidine;3-[4-[(4-cyclopentyloxy-3-methylphenyl)methyl]-2-methylphenoxy]pyrrolidine;methane;1-methyl-3-[2-methyl-4-[[3-methyl-4-(1-methylpyrrolidin-3-yl)oxyphenyl]methyl]phenoxy]pyrrolidine?
The IUPAC name of 3-[2-chloro-4-[(3-chloro-4-cyclopentyloxyphenyl)methyl]phenoxy]pyrrolidine;3-[4-[(4-cyclopentyloxy-3-methylphenyl)methyl]-2-methylphenoxy]pyrrolidine;methane;1-methyl-3-[2-methyl-4-[[3-methyl-4-(1-methylpyrrolidin-3-yl)oxyphenyl]methyl]phenoxy]pyrrolidine (CID 161435196) is 3-[2-chloro-4-[(3-chloro-4-cyclopentyloxyphenyl)methyl]phenoxy]pyrrolidine;3-[4-[(4-cyclopentyloxy-3-methylphenyl)methyl]-2-methylphenoxy]pyrrolidine;methane;1-methyl-3-[2-methyl-4-[[3-methyl-4-(1-methylpyrrolidin-3-yl)oxyphenyl]methyl]phenoxy]pyrrolidine.
What is the SMILES notation for 3-[2-chloro-4-[(3-chloro-4-cyclopentyloxyphenyl)methyl]phenoxy]pyrrolidine;3-[4-[(4-cyclopentyloxy-3-methylphenyl)methyl]-2-methylphenoxy]pyrrolidine;methane;1-methyl-3-[2-methyl-4-[[3-methyl-4-(1-methylpyrrolidin-3-yl)oxyphenyl]methyl]phenoxy]pyrrolidine?
The canonical SMILES for 3-[2-chloro-4-[(3-chloro-4-cyclopentyloxyphenyl)methyl]phenoxy]pyrrolidine;3-[4-[(4-cyclopentyloxy-3-methylphenyl)methyl]-2-methylphenoxy]pyrrolidine;methane;1-methyl-3-[2-methyl-4-[[3-methyl-4-(1-methylpyrrolidin-3-yl)oxyphenyl]methyl]phenoxy]pyrrolidine is C.Cc1cc(Cc2ccc(OC3CCN(C)C3)c(C)c2)ccc1OC1CCN(C)C1.Cc1cc(Cc2ccc(OC3CCNC3)c(C)c2)ccc1OC1CCCC1.Clc1cc(Cc2ccc(OC3CCNC3)c(Cl)c2)ccc1OC1CCCC1.
What is the InChIKey of 3-[2-chloro-4-[(3-chloro-4-cyclopentyloxyphenyl)methyl]phenoxy]pyrrolidine;3-[4-[(4-cyclopentyloxy-3-methylphenyl)methyl]-2-methylphenoxy]pyrrolidine;methane;1-methyl-3-[2-methyl-4-[[3-methyl-4-(1-methylpyrrolidin-3-yl)oxyphenyl]methyl]phenoxy]pyrrolidine?
The InChIKey is VYNZQPJXZREFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O2.C24H31NO2.C22H25Cl2NO2.CH4/c1-18-13-20(5-7-24(18)28-22-9-11-26(3)16-22)15-21-6-8-25(19(2)14-21)29-23-10-12-27(4)17-23;1-17-13-19(7-9-23(17)26-21-5-3-4-6-21)15-20-8-10-24(18(2)14-20)27-22-11-12-25-16-22;23-19-12-15(5-7-21(19)26-17-3-1-2-4-17)11-16-6-8-22(20(24)13-16)27-18-9-10-25-14-18;/h5-8,13-14,22-23H,9-12,15-17H2,1-4H3;7-10,13-14,21-22,25H,3-6,11-12,15-16H2,1-2H3;5-8,12-13,17-18,25H,1-4,9-11,14H2;1H4.
What are the key properties of 3-[2-chloro-4-[(3-chloro-4-cyclopentyloxyphenyl)methyl]phenoxy]pyrrolidine;3-[4-[(4-cyclopentyloxy-3-methylphenyl)methyl]-2-methylphenoxy]pyrrolidine;methane;1-methyl-3-[2-methyl-4-[[3-methyl-4-(1-methylpyrrolidin-3-yl)oxyphenyl]methyl]phenoxy]pyrrolidine?
3-[2-chloro-4-[(3-chloro-4-cyclopentyloxyphenyl)methyl]phenoxy]pyrrolidine;3-[4-[(4-cyclopentyloxy-3-methylphenyl)methyl]-2-methylphenoxy]pyrrolidine;methane;1-methyl-3-[2-methyl-4-[[3-methyl-4-(1-methylpyrrolidin-3-yl)oxyphenyl]methyl]phenoxy]pyrrolidine has a molecular weight of 1182.47 g/mol, XLogP of 15.30, 18 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloro-4-[(3-chloro-4-cyclopentyloxyphenyl)methyl]phenoxy]pyrrolidine;3-[4-[(4-cyclopentyloxy-3-methylphenyl)methyl]-2-methylphenoxy]pyrrolidine;methane;1-methyl-3-[2-methyl-4-[[3-methyl-4-(1-methylpyrrolidin-3-yl)oxyphenyl]methyl]phenoxy]pyrrolidine is sourced from PubChem (CID 161435196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).