N-[(2-methoxy-3,4-dimethylphenyl)methyl]cyclopentanamine

C15H23NO — CID 97179137

IUPACN-[(2-methoxy-3,4-dimethylphenyl)methyl]cyclopentanamine
SMILESCOc1c(CNC2CCCC2)ccc(C)c1C
InChIInChI=1S/C15H23NO/c1-11-8-9-13(15(17-3)12(11)2)10-16-14-6-4-5-7-14/h8-9,14,16H,4-7,10H2,1-3H3
InChIKeyALHHHUMXAITZSE-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.34
Rot. Bonds4

About N-[(2-methoxy-3,4-dimethylphenyl)methyl]cyclopentanamine

N-[(2-methoxy-3,4-dimethylphenyl)methyl]cyclopentanamine (PubChem CID 97179137) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N-[(2-methoxy-3,4-dimethylphenyl)methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[(2-methoxy-3,4-dimethylphenyl)methyl]cyclopentanamine
PubChem CID97179137
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN-[(2-methoxy-3,4-dimethylphenyl)methyl]cyclopentanamine
SMILESCOc1c(CNC2CCCC2)ccc(C)c1C
InChIInChI=1S/C15H23NO/c1-11-8-9-13(15(17-3)12(11)2)10-16-14-6-4-5-7-14/h8-9,14,16H,4-7,10H2,1-3H3
InChIKeyALHHHUMXAITZSE-UHFFFAOYSA-N
XLogP3.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,4-dimethoxy-3-methylphenyl)methyl]cyclohexanamine;oxalic acid
CID 2849724
N-[(2,3-dimethoxyphenyl)methyl]cyclopentanamine;hydrobromide
CID 75531449
N-[(2,3-dimethylphenyl)methyl]cyclopentanamine
CID 60657498
N-[(2-chloro-3,4-dimethoxyphenyl)methyl]cyclooctanamine
CID 63626731
N-[(2-ethoxy-3-methylphenyl)methyl]cyclopentanamine
CID 97179093
N-[(2-methoxy-4,5-dimethylphenyl)methyl]cyclobutanamine
CID 82493922
N-[(2-chloro-4-methoxyphenyl)methyl]cyclopentanamine
CID 82292670
N-[(2,4-dimethoxy-3-methylphenyl)methyl]pyrrolidin-3-amine
CID 115118851
N-[(2-ethoxy-3-methoxyphenyl)methyl]cyclopentanamine
CID 4717334
N-[(4,5-dimethoxy-2-methylphenyl)methyl]cyclobutanamine
CID 96674047
N-[(5-chloro-2-methoxy-4-methylphenyl)methyl]cyclopentanamine
CID 82298659
N-[cyclohexyl-(2-methoxy-3,4-dimethylphenyl)methyl]ethanamine
CID 103433380

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-3,4-dimethylphenyl)methyl]cyclopentanamine?
The IUPAC name of N-[(2-methoxy-3,4-dimethylphenyl)methyl]cyclopentanamine (CID 97179137) is N-[(2-methoxy-3,4-dimethylphenyl)methyl]cyclopentanamine.
What is the SMILES notation for N-[(2-methoxy-3,4-dimethylphenyl)methyl]cyclopentanamine?
The canonical SMILES for N-[(2-methoxy-3,4-dimethylphenyl)methyl]cyclopentanamine is COc1c(CNC2CCCC2)ccc(C)c1C.
What is the InChIKey of N-[(2-methoxy-3,4-dimethylphenyl)methyl]cyclopentanamine?
The InChIKey is ALHHHUMXAITZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-11-8-9-13(15(17-3)12(11)2)10-16-14-6-4-5-7-14/h8-9,14,16H,4-7,10H2,1-3H3.
What are the key properties of N-[(2-methoxy-3,4-dimethylphenyl)methyl]cyclopentanamine?
N-[(2-methoxy-3,4-dimethylphenyl)methyl]cyclopentanamine has a molecular weight of 233.35 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-3,4-dimethylphenyl)methyl]cyclopentanamine is sourced from PubChem (CID 97179137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).