1-[2-[2-methoxy-4-[(3S)-3-methyl-5-(4-methylphenyl)pentyl]phenoxy]ethyl]pyrrolidine

C26H37NO2 — CID 148956256

IUPAC1-[2-[2-methoxy-4-[(3S)-3-methyl-5-(4-methylphenyl)pentyl]phenoxy]ethyl]pyrrolidine
SMILESCOc1cc(CC[C@@H](C)CCc2ccc(C)cc2)ccc1OCCN1CCCC1
InChIInChI=1S/C26H37NO2/c1-21-6-10-23(11-7-21)12-8-22(2)9-13-24-14-15-25(26(20-24)28-3)29-19-18-27-16-4-5-17-27/h6-7,10-11,14-15,20,22H,4-5,8-9,12-13,16-19H2,1-3H3/t22-/m0/s1
InChIKeyPQXLPCKAZABRHK-QFIPXVFZSA-N
MW395.59 g/mol
LogP5.68
Rot. Bonds11

About 1-[2-[2-methoxy-4-[(3S)-3-methyl-5-(4-methylphenyl)pentyl]phenoxy]ethyl]pyrrolidine

1-[2-[2-methoxy-4-[(3S)-3-methyl-5-(4-methylphenyl)pentyl]phenoxy]ethyl]pyrrolidine (PubChem CID 148956256) has the molecular formula C26H37NO2 and a molecular weight of 395.59 g/mol. Its IUPAC name is 1-[2-[2-methoxy-4-[(3S)-3-methyl-5-(4-methylphenyl)pentyl]phenoxy]ethyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-[2-methoxy-4-[(3S)-3-methyl-5-(4-methylphenyl)pentyl]phenoxy]ethyl]pyrrolidine
PubChem CID148956256
Molecular FormulaC26H37NO2
Molecular Weight395.59 g/mol
Exact Mass395.28
IUPAC Name1-[2-[2-methoxy-4-[(3S)-3-methyl-5-(4-methylphenyl)pentyl]phenoxy]ethyl]pyrrolidine
SMILESCOc1cc(CC[C@@H](C)CCc2ccc(C)cc2)ccc1OCCN1CCCC1
InChIInChI=1S/C26H37NO2/c1-21-6-10-23(11-7-21)12-8-22(2)9-13-24-14-15-25(26(20-24)28-3)29-19-18-27-16-4-5-17-27/h6-7,10-11,14-15,20,22H,4-5,8-9,12-13,16-19H2,1-3H3/t22-/m0/s1
InChIKeyPQXLPCKAZABRHK-QFIPXVFZSA-N
XLogP5.68
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.59
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-benzyl-2-methoxyphenoxy)ethyl]pyrrolidine
CID 10638790
2-[[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]methyl]-1,1-dimethylhydrazine
CID 56700061
1-[3-methoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-2-amine
CID 61494131
3-[4-methoxy-3-(2-pyrrolidin-1-ylethoxy)phenyl]propanoic acid
CID 20990596
[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]methanamine
CID 20987572
4-[3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]propyl]morpholine
CID 170870265
1-[2-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 22679944
(1S)-1-[5-methyl-2-(2-piperidin-1-ylethoxy)phenyl]ethanol
CID 55190771
N-[[4-methoxy-3-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]propan-1-amine
CID 60881136
3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[(4-methylphenyl)methoxymethyl]-1,2,4-oxadiazole
CID 71496709
N-[(4,6-dimethyl-2-pyridinyl)methyl]-1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-N-methylmethanamine
CID 131943986
1-[2-(2-methoxyphenoxy)ethyl]piperidine
CID 867242

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-methoxy-4-[(3S)-3-methyl-5-(4-methylphenyl)pentyl]phenoxy]ethyl]pyrrolidine?
The IUPAC name of 1-[2-[2-methoxy-4-[(3S)-3-methyl-5-(4-methylphenyl)pentyl]phenoxy]ethyl]pyrrolidine (CID 148956256) is 1-[2-[2-methoxy-4-[(3S)-3-methyl-5-(4-methylphenyl)pentyl]phenoxy]ethyl]pyrrolidine.
What is the SMILES notation for 1-[2-[2-methoxy-4-[(3S)-3-methyl-5-(4-methylphenyl)pentyl]phenoxy]ethyl]pyrrolidine?
The canonical SMILES for 1-[2-[2-methoxy-4-[(3S)-3-methyl-5-(4-methylphenyl)pentyl]phenoxy]ethyl]pyrrolidine is COc1cc(CC[C@@H](C)CCc2ccc(C)cc2)ccc1OCCN1CCCC1.
What is the InChIKey of 1-[2-[2-methoxy-4-[(3S)-3-methyl-5-(4-methylphenyl)pentyl]phenoxy]ethyl]pyrrolidine?
The InChIKey is PQXLPCKAZABRHK-QFIPXVFZSA-N. The full InChI is InChI=1S/C26H37NO2/c1-21-6-10-23(11-7-21)12-8-22(2)9-13-24-14-15-25(26(20-24)28-3)29-19-18-27-16-4-5-17-27/h6-7,10-11,14-15,20,22H,4-5,8-9,12-13,16-19H2,1-3H3/t22-/m0/s1.
What are the key properties of 1-[2-[2-methoxy-4-[(3S)-3-methyl-5-(4-methylphenyl)pentyl]phenoxy]ethyl]pyrrolidine?
1-[2-[2-methoxy-4-[(3S)-3-methyl-5-(4-methylphenyl)pentyl]phenoxy]ethyl]pyrrolidine has a molecular weight of 395.59 g/mol, XLogP of 5.68, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-methoxy-4-[(3S)-3-methyl-5-(4-methylphenyl)pentyl]phenoxy]ethyl]pyrrolidine is sourced from PubChem (CID 148956256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).