3-[(5-chloro-2-methoxyphenyl)methyl]-N,2-dimethylcyclopentan-1-amine

C15H22ClNO — CID 64908984

IUPAC3-[(5-chloro-2-methoxyphenyl)methyl]-N,2-dimethylcyclopentan-1-amine
SMILESCNC1CCC(Cc2cc(Cl)ccc2OC)C1C
InChIInChI=1S/C15H22ClNO/c1-10-11(4-6-14(10)17-2)8-12-9-13(16)5-7-15(12)18-3/h5,7,9-11,14,17H,4,6,8H2,1-3H3
InChIKeyMZZXNALDKTTWLB-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.53
Rot. Bonds4

About 3-[(5-chloro-2-methoxyphenyl)methyl]-N,2-dimethylcyclopentan-1-amine

3-[(5-chloro-2-methoxyphenyl)methyl]-N,2-dimethylcyclopentan-1-amine (PubChem CID 64908984) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 3-[(5-chloro-2-methoxyphenyl)methyl]-N,2-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name3-[(5-chloro-2-methoxyphenyl)methyl]-N,2-dimethylcyclopentan-1-amine
PubChem CID64908984
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name3-[(5-chloro-2-methoxyphenyl)methyl]-N,2-dimethylcyclopentan-1-amine
SMILESCNC1CCC(Cc2cc(Cl)ccc2OC)C1C
InChIInChI=1S/C15H22ClNO/c1-10-11(4-6-14(10)17-2)8-12-9-13(16)5-7-15(12)18-3/h5,7,9-11,14,17H,4,6,8H2,1-3H3
InChIKeyMZZXNALDKTTWLB-UHFFFAOYSA-N
XLogP3.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(5-chloro-2-methoxyphenyl)methyl]-N,2-dimethylcyclopentan-1-amine 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

2-[(3-bromo-2-methylcyclopentyl)methyl]-4-chloro-1-methoxybenzene
CID 64908394
N-[[2-[(5-chloro-2-methoxyphenyl)methyl]cyclobutyl]methyl]propan-1-amine
CID 81017307
4-chloro-2-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxybenzene
CID 626547
3-[(2-fluorophenyl)methyl]-N,2-dimethylcyclopentan-1-amine
CID 64908987
3-[(2-bromo-5-fluorophenyl)methyl]-N,2-dimethylcyclopentan-1-amine
CID 64908983
3-bromo-4-[(5-chloro-2-methoxyphenyl)methyl]thiolane
CID 83190412
2-[(5-bromo-2-methoxyphenyl)methyl]-N-methylcyclohexan-1-amine
CID 54971608
1-chloro-2-[(5-chloro-2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63459141
2-[(5-chloro-2-fluorophenyl)methyl]-N-methylcyclopentan-1-amine
CID 103047204
1-(5-chloro-2-methoxyphenyl)-3-cyclohexylsulfanyl-N-methylpropan-2-amine
CID 65139555
2-(5-chloro-2-methoxyphenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 119559727
2-(5-chloro-2-methoxyphenyl)-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 9084409

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-methoxyphenyl)methyl]-N,2-dimethylcyclopentan-1-amine?
The IUPAC name of 3-[(5-chloro-2-methoxyphenyl)methyl]-N,2-dimethylcyclopentan-1-amine (CID 64908984) is 3-[(5-chloro-2-methoxyphenyl)methyl]-N,2-dimethylcyclopentan-1-amine.
What is the SMILES notation for 3-[(5-chloro-2-methoxyphenyl)methyl]-N,2-dimethylcyclopentan-1-amine?
The canonical SMILES for 3-[(5-chloro-2-methoxyphenyl)methyl]-N,2-dimethylcyclopentan-1-amine is CNC1CCC(Cc2cc(Cl)ccc2OC)C1C.
What is the InChIKey of 3-[(5-chloro-2-methoxyphenyl)methyl]-N,2-dimethylcyclopentan-1-amine?
The InChIKey is MZZXNALDKTTWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-10-11(4-6-14(10)17-2)8-12-9-13(16)5-7-15(12)18-3/h5,7,9-11,14,17H,4,6,8H2,1-3H3.
What are the key properties of 3-[(5-chloro-2-methoxyphenyl)methyl]-N,2-dimethylcyclopentan-1-amine?
3-[(5-chloro-2-methoxyphenyl)methyl]-N,2-dimethylcyclopentan-1-amine has a molecular weight of 267.80 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-methoxyphenyl)methyl]-N,2-dimethylcyclopentan-1-amine is sourced from PubChem (CID 64908984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).