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

C16H24ClNO2 — CID 64909729

IUPACN-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2,3-dimethylcyclopentan-1-amine
SMILESCOc1ccc(CNC2CCC(C)C2C)c(Cl)c1OC
InChIInChI=1S/C16H24ClNO2/c1-10-5-7-13(11(10)2)18-9-12-6-8-14(19-3)16(20-4)15(12)17/h6,8,10-11,13,18H,5,7,9H2,1-4H3
InChIKeyXGFWZTOMUWYZLS-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.88
Rot. Bonds5

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

N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2,3-dimethylcyclopentan-1-amine (PubChem CID 64909729) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2,3-dimethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2,3-dimethylcyclopentan-1-amine
PubChem CID64909729
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC NameN-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2,3-dimethylcyclopentan-1-amine
SMILESCOc1ccc(CNC2CCC(C)C2C)c(Cl)c1OC
InChIInChI=1S/C16H24ClNO2/c1-10-5-7-13(11(10)2)18-9-12-6-8-14(19-3)16(20-4)15(12)17/h6,8,10-11,13,18H,5,7,9H2,1-4H3
InChIKeyXGFWZTOMUWYZLS-UHFFFAOYSA-N
XLogP3.88
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-methylcyclopentan-1-amine
CID 55249228
cis-(1R,2S)-2-[(2-chloro-3,4-dimethoxyphenyl)methylamino]cyclohexan-1-ol
CID 124555929
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-(difluoromethoxy)-3-methoxyphenyl]methyl]-2,3-dimethylcyclopentan-1-amine
CID 64909930
1-(2-chloro-3,4-dimethoxyphenyl)-N-methylmethanamine
CID 63626727
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 64910368
N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-(3-methylcyclopentyl)methanamine
CID 107411472
N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-3-methylsulfanylcyclopentan-1-amine
CID 103701328
N-[(2,4-dimethoxyphenyl)methyl]-2,3-dimethylcyclohexan-1-amine
CID 43082086
(1R)-N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-cyclopentylethanamine
CID 81394276
4-[(2-chloro-3,4-dimethoxyphenyl)methyl]piperidine
CID 117427876

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2,3-dimethylcyclopentan-1-amine?
The IUPAC name of N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2,3-dimethylcyclopentan-1-amine (CID 64909729) is N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2,3-dimethylcyclopentan-1-amine.
What is the SMILES notation for N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2,3-dimethylcyclopentan-1-amine?
The canonical SMILES for N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2,3-dimethylcyclopentan-1-amine is COc1ccc(CNC2CCC(C)C2C)c(Cl)c1OC.
What is the InChIKey of N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2,3-dimethylcyclopentan-1-amine?
The InChIKey is XGFWZTOMUWYZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2/c1-10-5-7-13(11(10)2)18-9-12-6-8-14(19-3)16(20-4)15(12)17/h6,8,10-11,13,18H,5,7,9H2,1-4H3.
What are the key properties of N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2,3-dimethylcyclopentan-1-amine?
N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2,3-dimethylcyclopentan-1-amine has a molecular weight of 297.83 g/mol, XLogP of 3.88, 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]-2,3-dimethylcyclopentan-1-amine is sourced from PubChem (CID 64909729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).