N-[(5-chloro-2-methoxy-4-methylphenyl)methyl]cyclopentanamine

C14H20ClNO — CID 82298659

IUPACN-[(5-chloro-2-methoxy-4-methylphenyl)methyl]cyclopentanamine
SMILESCOc1cc(C)c(Cl)cc1CNC1CCCC1
InChIInChI=1S/C14H20ClNO/c1-10-7-14(17-2)11(8-13(10)15)9-16-12-5-3-4-6-12/h7-8,12,16H,3-6,9H2,1-2H3
InChIKeyAWBNIBQLDDXQOX-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.69
Rot. Bonds4

About N-[(5-chloro-2-methoxy-4-methylphenyl)methyl]cyclopentanamine

N-[(5-chloro-2-methoxy-4-methylphenyl)methyl]cyclopentanamine (PubChem CID 82298659) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is N-[(5-chloro-2-methoxy-4-methylphenyl)methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[(5-chloro-2-methoxy-4-methylphenyl)methyl]cyclopentanamine
PubChem CID82298659
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC NameN-[(5-chloro-2-methoxy-4-methylphenyl)methyl]cyclopentanamine
SMILESCOc1cc(C)c(Cl)cc1CNC1CCCC1
InChIInChI=1S/C14H20ClNO/c1-10-7-14(17-2)11(8-13(10)15)9-16-12-5-3-4-6-12/h7-8,12,16H,3-6,9H2,1-2H3
InChIKeyAWBNIBQLDDXQOX-UHFFFAOYSA-N
XLogP3.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(5-chloro-2-methoxy-4-methylphenyl)methyl]cyclopentanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-methoxy-4,5-dimethylphenyl)methyl]cyclobutanamine
CID 82493922
N-[(2,4,5-trimethoxyphenyl)methyl]cycloheptanamine
CID 787242
N-[(2,4,5-trimethoxyphenyl)methyl]cycloheptanamine;hydrobromide
CID 75531363
N-[(4,5-dimethoxy-2-methylphenyl)methyl]cyclobutanamine
CID 96674047
1-(5-chloro-2-methoxy-4-methylphenyl)-N-(chloromethyl)methanamine
CID 115263017
N-[(5-bromo-2,4-dimethoxyphenyl)methyl]cycloheptanamine
CID 791926
N-[(2,5-dimethoxyphenyl)methyl]cyclopentanamine
CID 792687
N-[(4-chloro-3-methoxyphenyl)methyl]cyclooctanamine
CID 21435425
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]cyclohexanamine
CID 834342
4-chloro-N-cyclopentyl-2-methoxy-5-methylaniline
CID 30050493
N-[(2-chloro-5-ethoxy-4-methoxyphenyl)methyl]cyclooctanamine
CID 66532495
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 6457206

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methoxy-4-methylphenyl)methyl]cyclopentanamine?
The IUPAC name of N-[(5-chloro-2-methoxy-4-methylphenyl)methyl]cyclopentanamine (CID 82298659) is N-[(5-chloro-2-methoxy-4-methylphenyl)methyl]cyclopentanamine.
What is the SMILES notation for N-[(5-chloro-2-methoxy-4-methylphenyl)methyl]cyclopentanamine?
The canonical SMILES for N-[(5-chloro-2-methoxy-4-methylphenyl)methyl]cyclopentanamine is COc1cc(C)c(Cl)cc1CNC1CCCC1.
What is the InChIKey of N-[(5-chloro-2-methoxy-4-methylphenyl)methyl]cyclopentanamine?
The InChIKey is AWBNIBQLDDXQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-10-7-14(17-2)11(8-13(10)15)9-16-12-5-3-4-6-12/h7-8,12,16H,3-6,9H2,1-2H3.
What are the key properties of N-[(5-chloro-2-methoxy-4-methylphenyl)methyl]cyclopentanamine?
N-[(5-chloro-2-methoxy-4-methylphenyl)methyl]cyclopentanamine has a molecular weight of 253.77 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methoxy-4-methylphenyl)methyl]cyclopentanamine is sourced from PubChem (CID 82298659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).