2-(chloromethyl)-N-[(4-methoxyphenyl)methyl]cyclopentan-1-amine

C14H20ClNO — CID 106364903

IUPAC2-(chloromethyl)-N-[(4-methoxyphenyl)methyl]cyclopentan-1-amine
SMILESCOc1ccc(CNC2CCCC2CCl)cc1
InChIInChI=1S/C14H20ClNO/c1-17-13-7-5-11(6-8-13)10-16-14-4-2-3-12(14)9-15/h5-8,12,14,16H,2-4,9-10H2,1H3
InChIKeyGOCKRBBMBQMBHL-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.19
Rot. Bonds5

About 2-(chloromethyl)-N-[(4-methoxyphenyl)methyl]cyclopentan-1-amine

2-(chloromethyl)-N-[(4-methoxyphenyl)methyl]cyclopentan-1-amine (PubChem CID 106364903) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 2-(chloromethyl)-N-[(4-methoxyphenyl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-(chloromethyl)-N-[(4-methoxyphenyl)methyl]cyclopentan-1-amine
PubChem CID106364903
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name2-(chloromethyl)-N-[(4-methoxyphenyl)methyl]cyclopentan-1-amine
SMILESCOc1ccc(CNC2CCCC2CCl)cc1
InChIInChI=1S/C14H20ClNO/c1-17-13-7-5-11(6-8-13)10-16-14-4-2-3-12(14)9-15/h5-8,12,14,16H,2-4,9-10H2,1H3
InChIKeyGOCKRBBMBQMBHL-UHFFFAOYSA-N
XLogP3.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

trans-(1R,2R)-1-N,2-N-bis[(4-methoxyphenyl)methyl]cyclohexane-1,2-diamine
CID 11314223
cis-(1S,2R)-2-[(4-methoxyphenyl)methylamino]cyclohexan-1-ol
CID 39345640
2-N-[(4-methoxyphenyl)methyl]-1-N-methylcyclohexane-1,2-diamine
CID 167008714
cis-(1R,2S)-2-[(4-methoxyphenyl)methylamino]cyclohexan-1-ol
CID 93317511
2-(chloromethyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]cyclohexan-1-amine
CID 106365284
N-[(4-methoxyphenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 43392190
N-[(4-methoxyphenyl)methyl]cycloheptanamine
CID 784052
N-[(5-bromo-2-methoxyphenyl)methyl]-2-(chloromethyl)cyclopentan-1-amine
CID 114179240
N-[[4-(difluoromethoxy)phenyl]methyl]-2-ethylcyclopentan-1-amine
CID 115691377
2-ethyl-N-[(3-methoxyphenyl)methyl]cyclopentan-1-amine
CID 115691352
3-[[[2-(chloromethyl)cyclopentyl]amino]methyl]phenol
CID 106364946
N-[(3,4-dimethoxyphenyl)methyl]-2-ethylcyclopentan-1-amine
CID 115691314

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-N-[(4-methoxyphenyl)methyl]cyclopentan-1-amine?
The IUPAC name of 2-(chloromethyl)-N-[(4-methoxyphenyl)methyl]cyclopentan-1-amine (CID 106364903) is 2-(chloromethyl)-N-[(4-methoxyphenyl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 2-(chloromethyl)-N-[(4-methoxyphenyl)methyl]cyclopentan-1-amine?
The canonical SMILES for 2-(chloromethyl)-N-[(4-methoxyphenyl)methyl]cyclopentan-1-amine is COc1ccc(CNC2CCCC2CCl)cc1.
What is the InChIKey of 2-(chloromethyl)-N-[(4-methoxyphenyl)methyl]cyclopentan-1-amine?
The InChIKey is GOCKRBBMBQMBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-17-13-7-5-11(6-8-13)10-16-14-4-2-3-12(14)9-15/h5-8,12,14,16H,2-4,9-10H2,1H3.
What are the key properties of 2-(chloromethyl)-N-[(4-methoxyphenyl)methyl]cyclopentan-1-amine?
2-(chloromethyl)-N-[(4-methoxyphenyl)methyl]cyclopentan-1-amine has a molecular weight of 253.77 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-N-[(4-methoxyphenyl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 106364903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).