[1-[3-(1-methoxyethyl)phenyl]cyclopentyl]methanamine

C15H23NO — CID 117113249

IUPAC[1-[3-(1-methoxyethyl)phenyl]cyclopentyl]methanamine
SMILESCOC(C)c1cccc(C2(CN)CCCC2)c1
InChIInChI=1S/C15H23NO/c1-12(17-2)13-6-5-7-14(10-13)15(11-16)8-3-4-9-15/h5-7,10,12H,3-4,8-9,11,16H2,1-2H3
InChIKeyWFLGIHUBRXZFOR-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.16
Rot. Bonds4

About [1-[3-(1-methoxyethyl)phenyl]cyclopentyl]methanamine

[1-[3-(1-methoxyethyl)phenyl]cyclopentyl]methanamine (PubChem CID 117113249) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is [1-[3-(1-methoxyethyl)phenyl]cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-[3-(1-methoxyethyl)phenyl]cyclopentyl]methanamine
PubChem CID117113249
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name[1-[3-(1-methoxyethyl)phenyl]cyclopentyl]methanamine
SMILESCOC(C)c1cccc(C2(CN)CCCC2)c1
InChIInChI=1S/C15H23NO/c1-12(17-2)13-6-5-7-14(10-13)15(11-16)8-3-4-9-15/h5-7,10,12H,3-4,8-9,11,16H2,1-2H3
InChIKeyWFLGIHUBRXZFOR-UHFFFAOYSA-N
XLogP3.16
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-[1-(aminomethyl)cyclobutyl]phenyl]ethanol
CID 117113123
[1-[3-(difluoromethyl)phenyl]cyclobutyl]methanamine
CID 117301607
1-[3-(1-methoxyethyl)phenyl]cyclopropan-1-amine
CID 117112372
[1-(3-pentan-3-ylphenyl)cyclopropyl]methanamine
CID 117310036
3-[1-(aminomethyl)cyclobutyl]-N,N-dimethylaniline
CID 82609365
[1-(3-methoxy-4-propan-2-ylphenyl)cyclopentyl]methanamine
CID 117371885
[1-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]cyclohexyl]methanamine
CID 117113421
[3-[1-[(dimethylamino)methyl]cyclopentyl]phenyl]methanamine
CID 115039154
[1-[4-(2-methoxypropyl)phenyl]cyclohexyl]methanamine
CID 117408640
1-[3-[1-(aminomethyl)cyclohexyl]phenyl]-1-methylurea
CID 117408462
[1-(3-fluoro-5-propan-2-ylphenyl)cyclopentyl]methanamine
CID 84797654
[4-methoxy-1-(3-methylphenyl)cyclohexyl]methanamine
CID 70298951

Frequently Asked Questions

What is the IUPAC name of [1-[3-(1-methoxyethyl)phenyl]cyclopentyl]methanamine?
The IUPAC name of [1-[3-(1-methoxyethyl)phenyl]cyclopentyl]methanamine (CID 117113249) is [1-[3-(1-methoxyethyl)phenyl]cyclopentyl]methanamine.
What is the SMILES notation for [1-[3-(1-methoxyethyl)phenyl]cyclopentyl]methanamine?
The canonical SMILES for [1-[3-(1-methoxyethyl)phenyl]cyclopentyl]methanamine is COC(C)c1cccc(C2(CN)CCCC2)c1.
What is the InChIKey of [1-[3-(1-methoxyethyl)phenyl]cyclopentyl]methanamine?
The InChIKey is WFLGIHUBRXZFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-12(17-2)13-6-5-7-14(10-13)15(11-16)8-3-4-9-15/h5-7,10,12H,3-4,8-9,11,16H2,1-2H3.
What are the key properties of [1-[3-(1-methoxyethyl)phenyl]cyclopentyl]methanamine?
[1-[3-(1-methoxyethyl)phenyl]cyclopentyl]methanamine has a molecular weight of 233.36 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(1-methoxyethyl)phenyl]cyclopentyl]methanamine is sourced from PubChem (CID 117113249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).