3-[3-(cyclopentylmethoxy)phenyl]-N-methylpropan-1-amine

C16H25NO — CID 170001159

IUPAC3-[3-(cyclopentylmethoxy)phenyl]-N-methylpropan-1-amine
SMILESCNCCCc1cccc(OCC2CCCC2)c1
InChIInChI=1S/C16H25NO/c1-17-11-5-9-14-8-4-10-16(12-14)18-13-15-6-2-3-7-15/h4,8,10,12,15,17H,2-3,5-7,9,11,13H2,1H3
InChIKeyKCXWELUKMJDWPI-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.41
Rot. Bonds7

About 3-[3-(cyclopentylmethoxy)phenyl]-N-methylpropan-1-amine

3-[3-(cyclopentylmethoxy)phenyl]-N-methylpropan-1-amine (PubChem CID 170001159) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 3-[3-(cyclopentylmethoxy)phenyl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-[3-(cyclopentylmethoxy)phenyl]-N-methylpropan-1-amine
PubChem CID170001159
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name3-[3-(cyclopentylmethoxy)phenyl]-N-methylpropan-1-amine
SMILESCNCCCc1cccc(OCC2CCCC2)c1
InChIInChI=1S/C16H25NO/c1-17-11-5-9-14-8-4-10-16(12-14)18-13-15-6-2-3-7-15/h4,8,10,12,15,17H,2-3,5-7,9,11,13H2,1H3
InChIKeyKCXWELUKMJDWPI-UHFFFAOYSA-N
XLogP3.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(cyclohexylmethoxy)-3-ethylbenzene
CID 64765854
1-[[3-[3-(methylamino)propyl]phenoxy]methyl]cyclooctan-1-ol
CID 153216457
[3-[(2S)-2-methylbutyl]phenoxy]methylcycloheptane
CID 126609950
1-(3-cyclohexylpropyl)-3-ethoxybenzene
CID 91039884
(2R)-2-[3-(cyclohexylmethoxy)phenoxy]-N-methylpropan-1-amine
CID 170000859
3-[3-(cyclohexylmethoxy)phenyl]-1-(dimethylamino)propan-1-ol
CID 135168970
N-[[3-(cyclobutylmethoxy)phenyl]methyl]-2-methoxyethanamine
CID 65457089
1-[3-(cyclobutylmethoxy)phenyl]propan-2-amine
CID 65459309
(2S)-1-[3-(cyclopentylmethoxy)phenyl]butan-2-ol
CID 69097479
N-[3-(3-ethoxyphenyl)propyl]cyclopropanamine
CID 79019318
1-[2-[3-(cyclopropylmethoxy)phenyl]ethyl]cyclopropan-1-amine
CID 105490106
4-[[3-(cyclohexylmethoxy)phenyl]methylamino]-2,2-dimethylbutanoic acid
CID 122126922

Frequently Asked Questions

What is the IUPAC name of 3-[3-(cyclopentylmethoxy)phenyl]-N-methylpropan-1-amine?
The IUPAC name of 3-[3-(cyclopentylmethoxy)phenyl]-N-methylpropan-1-amine (CID 170001159) is 3-[3-(cyclopentylmethoxy)phenyl]-N-methylpropan-1-amine.
What is the SMILES notation for 3-[3-(cyclopentylmethoxy)phenyl]-N-methylpropan-1-amine?
The canonical SMILES for 3-[3-(cyclopentylmethoxy)phenyl]-N-methylpropan-1-amine is CNCCCc1cccc(OCC2CCCC2)c1.
What is the InChIKey of 3-[3-(cyclopentylmethoxy)phenyl]-N-methylpropan-1-amine?
The InChIKey is KCXWELUKMJDWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-17-11-5-9-14-8-4-10-16(12-14)18-13-15-6-2-3-7-15/h4,8,10,12,15,17H,2-3,5-7,9,11,13H2,1H3.
What are the key properties of 3-[3-(cyclopentylmethoxy)phenyl]-N-methylpropan-1-amine?
3-[3-(cyclopentylmethoxy)phenyl]-N-methylpropan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(cyclopentylmethoxy)phenyl]-N-methylpropan-1-amine is sourced from PubChem (CID 170001159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).