N-[[1-[(3-methoxyphenyl)methyl]cyclopentyl]methyl]propan-1-amine

C17H27NO — CID 62724802

IUPACN-[[1-[(3-methoxyphenyl)methyl]cyclopentyl]methyl]propan-1-amine
SMILESCCCNCC1(Cc2cccc(OC)c2)CCCC1
InChIInChI=1S/C17H27NO/c1-3-11-18-14-17(9-4-5-10-17)13-15-7-6-8-16(12-15)19-2/h6-8,12,18H,3-5,9-11,13-14H2,1-2H3
InChIKeyGIGAWXMWUXNDSE-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.80
Rot. Bonds7

About N-[[1-[(3-methoxyphenyl)methyl]cyclopentyl]methyl]propan-1-amine

N-[[1-[(3-methoxyphenyl)methyl]cyclopentyl]methyl]propan-1-amine (PubChem CID 62724802) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[[1-[(3-methoxyphenyl)methyl]cyclopentyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[(3-methoxyphenyl)methyl]cyclopentyl]methyl]propan-1-amine
PubChem CID62724802
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[[1-[(3-methoxyphenyl)methyl]cyclopentyl]methyl]propan-1-amine
SMILESCCCNCC1(Cc2cccc(OC)c2)CCCC1
InChIInChI=1S/C17H27NO/c1-3-11-18-14-17(9-4-5-10-17)13-15-7-6-8-16(12-15)19-2/h6-8,12,18H,3-5,9-11,13-14H2,1-2H3
InChIKeyGIGAWXMWUXNDSE-UHFFFAOYSA-N
XLogP3.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.80
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

N-[[1-[(3-methoxyphenyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine
CID 65194679
3-methoxy-N-methyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]aniline
CID 62256771
1-[[1-(chloromethyl)cyclopentyl]methyl]-3-methoxybenzene
CID 66034461
[1-[(3-methoxyphenyl)methyl]cyclooctyl]methanamine
CID 80603141
1-[(1-fluorocyclobutyl)methyl]-3-methoxybenzene
CID 84720329
N-[[1-[(3-bromo-4-fluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 63507129
1-[(3-methoxyphenyl)methyl]-N-methylcyclohexan-1-amine
CID 82129111
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(3-methoxyphenyl)methanamine
CID 115244164
2-[1-[[(3-methoxyphenyl)methylamino]methyl]cyclopropyl]ethanol
CID 114750075
N-[[4-[(3-methoxyphenyl)methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62905211
N-[[2-[(3-methoxyphenyl)methyl]cycloheptyl]methyl]propan-1-amine
CID 81034374
N-[[3-[(3-methylphenyl)methyl]oxolan-3-yl]methyl]propan-1-amine
CID 62719920

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-methoxyphenyl)methyl]cyclopentyl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[(3-methoxyphenyl)methyl]cyclopentyl]methyl]propan-1-amine (CID 62724802) is N-[[1-[(3-methoxyphenyl)methyl]cyclopentyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[(3-methoxyphenyl)methyl]cyclopentyl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[(3-methoxyphenyl)methyl]cyclopentyl]methyl]propan-1-amine is CCCNCC1(Cc2cccc(OC)c2)CCCC1.
What is the InChIKey of N-[[1-[(3-methoxyphenyl)methyl]cyclopentyl]methyl]propan-1-amine?
The InChIKey is GIGAWXMWUXNDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-3-11-18-14-17(9-4-5-10-17)13-15-7-6-8-16(12-15)19-2/h6-8,12,18H,3-5,9-11,13-14H2,1-2H3.
What are the key properties of N-[[1-[(3-methoxyphenyl)methyl]cyclopentyl]methyl]propan-1-amine?
N-[[1-[(3-methoxyphenyl)methyl]cyclopentyl]methyl]propan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-methoxyphenyl)methyl]cyclopentyl]methyl]propan-1-amine is sourced from PubChem (CID 62724802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).