N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-(3-methylcyclopentyl)methanamine

C16H24ClNO2 — CID 107411472

IUPACN-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-(3-methylcyclopentyl)methanamine
SMILESCOc1ccc(CNCC2CCC(C)C2)c(Cl)c1OC
InChIInChI=1S/C16H24ClNO2/c1-11-4-5-12(8-11)9-18-10-13-6-7-14(19-2)16(20-3)15(13)17/h6-7,11-12,18H,4-5,8-10H2,1-3H3
InChIKeyQJXCCJJMMPZHKZ-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.88
Rot. Bonds6

About N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-(3-methylcyclopentyl)methanamine

N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-(3-methylcyclopentyl)methanamine (PubChem CID 107411472) 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]-1-(3-methylcyclopentyl)methanamine.

Molecular Properties

Compound NameN-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-(3-methylcyclopentyl)methanamine
PubChem CID107411472
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC NameN-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-(3-methylcyclopentyl)methanamine
SMILESCOc1ccc(CNCC2CCC(C)C2)c(Cl)c1OC
InChIInChI=1S/C16H24ClNO2/c1-11-4-5-12(8-11)9-18-10-13-6-7-14(19-2)16(20-3)15(13)17/h6-7,11-12,18H,4-5,8-10H2,1-3H3
InChIKeyQJXCCJJMMPZHKZ-UHFFFAOYSA-N
XLogP3.88
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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]cyclooctanamine
CID 63626731
2,6-dimethoxy-4-[[(3-methylcyclopentyl)methylamino]methyl]phenol
CID 107411940
N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 64909729
4-methoxy-2-[[(3-methylcyclopentyl)methylamino]methyl]phenol
CID 107411546
cis-(1R,2S)-2-[(2-chloro-3,4-dimethoxyphenyl)methylamino]cyclohexan-1-ol
CID 124555929
N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-methylcyclopentan-1-amine
CID 55249228
1-(2-chloro-3,4-dimethoxyphenyl)-N-methylmethanamine
CID 63626727
N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-(3-methylcyclopentyl)methanamine
CID 107412254
N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2,2-dimethylpropan-1-amine
CID 63626938
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-1-(3-methylcyclopentyl)methanamine
CID 107411813
2-chloro-6-[[(3-methylcyclopentyl)methylamino]methyl]phenol
CID 107412029
1-[(2-chloro-3,4-dimethoxyphenyl)methylamino]-3-methylbutan-2-ol
CID 115630589

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-(3-methylcyclopentyl)methanamine?
The IUPAC name of N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-(3-methylcyclopentyl)methanamine (CID 107411472) is N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-(3-methylcyclopentyl)methanamine.
What is the SMILES notation for N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-(3-methylcyclopentyl)methanamine?
The canonical SMILES for N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-(3-methylcyclopentyl)methanamine is COc1ccc(CNCC2CCC(C)C2)c(Cl)c1OC.
What is the InChIKey of N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-(3-methylcyclopentyl)methanamine?
The InChIKey is QJXCCJJMMPZHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2/c1-11-4-5-12(8-11)9-18-10-13-6-7-14(19-2)16(20-3)15(13)17/h6-7,11-12,18H,4-5,8-10H2,1-3H3.
What are the key properties of N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-(3-methylcyclopentyl)methanamine?
N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-(3-methylcyclopentyl)methanamine has a molecular weight of 297.83 g/mol, XLogP of 3.88, 6 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]-1-(3-methylcyclopentyl)methanamine is sourced from PubChem (CID 107411472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).