N-[(3-chloro-4-methoxyphenyl)methyl]-2-cyclopentylethanamine

C15H22ClNO — CID 65021377

IUPACN-[(3-chloro-4-methoxyphenyl)methyl]-2-cyclopentylethanamine
SMILESCOc1ccc(CNCCC2CCCC2)cc1Cl
InChIInChI=1S/C15H22ClNO/c1-18-15-7-6-13(10-14(15)16)11-17-9-8-12-4-2-3-5-12/h6-7,10,12,17H,2-5,8-9,11H2,1H3
InChIKeyWSXJXMWUENTHEN-UHFFFAOYSA-N
MW267.80 g/mol
LogP4.02
Rot. Bonds6

About N-[(3-chloro-4-methoxyphenyl)methyl]-2-cyclopentylethanamine

N-[(3-chloro-4-methoxyphenyl)methyl]-2-cyclopentylethanamine (PubChem CID 65021377) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is N-[(3-chloro-4-methoxyphenyl)methyl]-2-cyclopentylethanamine.

Molecular Properties

Compound NameN-[(3-chloro-4-methoxyphenyl)methyl]-2-cyclopentylethanamine
PubChem CID65021377
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC NameN-[(3-chloro-4-methoxyphenyl)methyl]-2-cyclopentylethanamine
SMILESCOc1ccc(CNCCC2CCCC2)cc1Cl
InChIInChI=1S/C15H22ClNO/c1-18-15-7-6-13(10-14(15)16)11-17-9-8-12-4-2-3-5-12/h6-7,10,12,17H,2-5,8-9,11H2,1H3
InChIKeyWSXJXMWUENTHEN-UHFFFAOYSA-N
XLogP4.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 54.02
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

2-cyclopentyl-N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine
CID 60733205
N-[(5-chloro-2-methoxyphenyl)methyl]-2-cyclohexylethanamine
CID 63450398
2-cyclopentyl-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
CID 60733457
N-[(3-chloro-4-methoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride
CID 132843684
1-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]methanamine
CID 43317290
N-[(3-chloro-4-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 29223884
N-[(3-chloro-4-methoxyphenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 29223887
[(3-chloro-4-methoxyphenyl)methylamino]methanol
CID 115228943
N-[(4-chlorophenyl)methyl]-2-cyclohexylethanamine
CID 63448624
[(3-chloro-4-methoxyphenyl)methylamino]methanethiol
CID 115227883
3-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine
CID 115639482
N-[(4-methoxy-3-methylphenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 115615017

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methoxyphenyl)methyl]-2-cyclopentylethanamine?
The IUPAC name of N-[(3-chloro-4-methoxyphenyl)methyl]-2-cyclopentylethanamine (CID 65021377) is N-[(3-chloro-4-methoxyphenyl)methyl]-2-cyclopentylethanamine.
What is the SMILES notation for N-[(3-chloro-4-methoxyphenyl)methyl]-2-cyclopentylethanamine?
The canonical SMILES for N-[(3-chloro-4-methoxyphenyl)methyl]-2-cyclopentylethanamine is COc1ccc(CNCCC2CCCC2)cc1Cl.
What is the InChIKey of N-[(3-chloro-4-methoxyphenyl)methyl]-2-cyclopentylethanamine?
The InChIKey is WSXJXMWUENTHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-18-15-7-6-13(10-14(15)16)11-17-9-8-12-4-2-3-5-12/h6-7,10,12,17H,2-5,8-9,11H2,1H3.
What are the key properties of N-[(3-chloro-4-methoxyphenyl)methyl]-2-cyclopentylethanamine?
N-[(3-chloro-4-methoxyphenyl)methyl]-2-cyclopentylethanamine has a molecular weight of 267.80 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-methoxyphenyl)methyl]-2-cyclopentylethanamine is sourced from PubChem (CID 65021377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).