1-[3-chloro-4-(2,5-dimethylphenoxy)phenyl]pyrrolidine

C18H20ClNO — CID 168515010

IUPAC1-[3-chloro-4-(2,5-dimethylphenoxy)phenyl]pyrrolidine
SMILESCc1ccc(C)c(Oc2ccc(N3CCCC3)cc2Cl)c1
InChIInChI=1S/C18H20ClNO/c1-13-5-6-14(2)18(11-13)21-17-8-7-15(12-16(17)19)20-9-3-4-10-20/h5-8,11-12H,3-4,9-10H2,1-2H3
InChIKeyVZTVOWGRSHCHRT-UHFFFAOYSA-N
MW301.82 g/mol
LogP5.35
Rot. Bonds3

About 1-[3-chloro-4-(2,5-dimethylphenoxy)phenyl]pyrrolidine

1-[3-chloro-4-(2,5-dimethylphenoxy)phenyl]pyrrolidine (PubChem CID 168515010) has the molecular formula C18H20ClNO and a molecular weight of 301.82 g/mol. Its IUPAC name is 1-[3-chloro-4-(2,5-dimethylphenoxy)phenyl]pyrrolidine.

Molecular Properties

Compound Name1-[3-chloro-4-(2,5-dimethylphenoxy)phenyl]pyrrolidine
PubChem CID168515010
Molecular FormulaC18H20ClNO
Molecular Weight301.82 g/mol
Exact Mass301.12
IUPAC Name1-[3-chloro-4-(2,5-dimethylphenoxy)phenyl]pyrrolidine
SMILESCc1ccc(C)c(Oc2ccc(N3CCCC3)cc2Cl)c1
InChIInChI=1S/C18H20ClNO/c1-13-5-6-14(2)18(11-13)21-17-8-7-15(12-16(17)19)20-9-3-4-10-20/h5-8,11-12H,3-4,9-10H2,1-2H3
InChIKeyVZTVOWGRSHCHRT-UHFFFAOYSA-N
XLogP5.35
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.82
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-chloro-4-(trifluoromethoxy)phenyl]pyrrolidine
CID 123919378
(1R)-1-[3-chloro-4-(2,5-dimethylphenoxy)phenyl]ethanol
CID 78941592
3-chloro-4-(2,5-dimethylphenoxy)benzenesulfonamide
CID 61373514
1-chloro-2-(chloromethyl)-3-(2,5-dimethylphenoxy)benzene
CID 28947175
2-chloro-1-(2,5-dimethylphenoxy)-4-isocyanatobenzene
CID 169355091
2-chloro-6-(2,5-dimethylphenoxy)benzoic acid
CID 29037319
2-chloro-4-(2-chloro-4-methylphenoxy)-5-methylaniline
CID 115555326
[2-chloro-6-(2,5-dimethylphenoxy)phenyl]methanamine
CID 28966143
1-(3-chloro-4-methoxyphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 113077138
4-(3-chloro-4-methoxyphenyl)-N-(2,4-dimethylphenyl)piperazine-1-carboxamide
CID 113111468
1-(3-chloro-4-methylphenyl)-4-(2,4-dimethylphenyl)sulfonylpiperazine
CID 2137811
(2R)-2-(2,5-dimethylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 100504761

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(2,5-dimethylphenoxy)phenyl]pyrrolidine?
The IUPAC name of 1-[3-chloro-4-(2,5-dimethylphenoxy)phenyl]pyrrolidine (CID 168515010) is 1-[3-chloro-4-(2,5-dimethylphenoxy)phenyl]pyrrolidine.
What is the SMILES notation for 1-[3-chloro-4-(2,5-dimethylphenoxy)phenyl]pyrrolidine?
The canonical SMILES for 1-[3-chloro-4-(2,5-dimethylphenoxy)phenyl]pyrrolidine is Cc1ccc(C)c(Oc2ccc(N3CCCC3)cc2Cl)c1.
What is the InChIKey of 1-[3-chloro-4-(2,5-dimethylphenoxy)phenyl]pyrrolidine?
The InChIKey is VZTVOWGRSHCHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO/c1-13-5-6-14(2)18(11-13)21-17-8-7-15(12-16(17)19)20-9-3-4-10-20/h5-8,11-12H,3-4,9-10H2,1-2H3.
What are the key properties of 1-[3-chloro-4-(2,5-dimethylphenoxy)phenyl]pyrrolidine?
1-[3-chloro-4-(2,5-dimethylphenoxy)phenyl]pyrrolidine has a molecular weight of 301.82 g/mol, XLogP of 5.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-(2,5-dimethylphenoxy)phenyl]pyrrolidine is sourced from PubChem (CID 168515010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).