N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-methylcyclopentan-1-amine

C15H22ClNO2 — CID 55249228

IUPACN-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-methylcyclopentan-1-amine
SMILESCOc1ccc(CNC2CCCC2C)c(Cl)c1OC
InChIInChI=1S/C15H22ClNO2/c1-10-5-4-6-12(10)17-9-11-7-8-13(18-2)15(19-3)14(11)16/h7-8,10,12,17H,4-6,9H2,1-3H3
InChIKeyNJKZLLOYKNMNBS-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.64
Rot. Bonds5

About N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-methylcyclopentan-1-amine

N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-methylcyclopentan-1-amine (PubChem CID 55249228) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-methylcyclopentan-1-amine
PubChem CID55249228
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC NameN-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-methylcyclopentan-1-amine
SMILESCOc1ccc(CNC2CCCC2C)c(Cl)c1OC
InChIInChI=1S/C15H22ClNO2/c1-10-5-4-6-12(10)17-9-11-7-8-13(18-2)15(19-3)14(11)16/h7-8,10,12,17H,4-6,9H2,1-3H3
InChIKeyNJKZLLOYKNMNBS-UHFFFAOYSA-N
XLogP3.64
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,2S)-2-[(2-chloro-3,4-dimethoxyphenyl)methylamino]cyclohexan-1-ol
CID 124555929
N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 64909729
N-[(2-chloro-3,4-dimethoxyphenyl)methyl]cyclooctanamine
CID 63626731
N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-phenylcyclopropan-1-amine
CID 66629200
N-[(2,4-dimethoxyphenyl)methyl]-2-methylcyclohexan-1-amine
CID 2852810
N-[(2-chloro-6-methoxyphenyl)methyl]-2-methylcyclopentan-1-amine
CID 104815987
1-(2-chloro-3,4-dimethoxyphenyl)-N-methylmethanamine
CID 63626727
N-[(1R,2S)-2-methylcyclohexyl]-2-(2,3,4-trimethoxyphenyl)acetamide
CID 9084467
(1R)-N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-cyclopentylethanamine
CID 81394276
N-[(4-methoxy-3-methylphenyl)methyl]-2-methylcyclopentan-1-amine
CID 55171660
(1R)-N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-cyclohexylethanamine
CID 81388553
N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-3-methylsulfanylcyclopentan-1-amine
CID 103701328

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-methylcyclopentan-1-amine?
The IUPAC name of N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-methylcyclopentan-1-amine (CID 55249228) is N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-methylcyclopentan-1-amine.
What is the SMILES notation for N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-methylcyclopentan-1-amine?
The canonical SMILES for N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-methylcyclopentan-1-amine is COc1ccc(CNC2CCCC2C)c(Cl)c1OC.
What is the InChIKey of N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-methylcyclopentan-1-amine?
The InChIKey is NJKZLLOYKNMNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-10-5-4-6-12(10)17-9-11-7-8-13(18-2)15(19-3)14(11)16/h7-8,10,12,17H,4-6,9H2,1-3H3.
What are the key properties of N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-methylcyclopentan-1-amine?
N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-methylcyclopentan-1-amine has a molecular weight of 283.80 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-methylcyclopentan-1-amine is sourced from PubChem (CID 55249228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).