N-[(2,5-dimethoxyphenyl)methyl]-3-methylcyclopentan-1-amine

C15H23NO2 — CID 115651792

IUPACN-[(2,5-dimethoxyphenyl)methyl]-3-methylcyclopentan-1-amine
SMILESCOc1ccc(OC)c(CNC2CCC(C)C2)c1
InChIInChI=1S/C15H23NO2/c1-11-4-5-13(8-11)16-10-12-9-14(17-2)6-7-15(12)18-3/h6-7,9,11,13,16H,4-5,8,10H2,1-3H3
InChIKeyFJCVGRQMVDKZPL-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.98
Rot. Bonds5

About N-[(2,5-dimethoxyphenyl)methyl]-3-methylcyclopentan-1-amine

N-[(2,5-dimethoxyphenyl)methyl]-3-methylcyclopentan-1-amine (PubChem CID 115651792) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)methyl]-3-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)methyl]-3-methylcyclopentan-1-amine
PubChem CID115651792
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-[(2,5-dimethoxyphenyl)methyl]-3-methylcyclopentan-1-amine
SMILESCOc1ccc(OC)c(CNC2CCC(C)C2)c1
InChIInChI=1S/C15H23NO2/c1-11-4-5-13(8-11)16-10-12-9-14(17-2)6-7-15(12)18-3/h6-7,9,11,13,16H,4-5,8,10H2,1-3H3
InChIKeyFJCVGRQMVDKZPL-UHFFFAOYSA-N
XLogP2.98
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,5-dimethoxyphenyl)methyl]-3-methylcyclohexan-1-amine
CID 43244054
N-[(2,5-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 167726962
N-[(2,5-dimethoxyphenyl)methyl]cyclopentanamine
CID 792687
N-[(2,5-dimethoxyphenyl)methyl]thian-4-amine
CID 115578053
N-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylcyclohexan-1-amine
CID 103757549
N-[(2-cyclopentyloxy-5-methoxyphenyl)methyl]cyclopropanamine
CID 43276489
N-[(2,5-dimethoxyphenyl)methyl]-1-propylpiperidin-4-amine
CID 28718169
N'-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]ethane-1,2-diamine
CID 112690313
N-[[5-methoxy-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine
CID 65365198
N-[[5-methoxy-2-(2-methylpropoxy)phenyl]methyl]cyclopropanamine
CID 43276456
N-[[5-methoxy-2-(3-methoxypropoxy)phenyl]methyl]cyclopropanamine
CID 54935637
N-[(2,5-dimethoxyphenyl)methyl]-1,1-dioxothian-3-amine
CID 63924086

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-3-methylcyclopentan-1-amine?
The IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-3-methylcyclopentan-1-amine (CID 115651792) is N-[(2,5-dimethoxyphenyl)methyl]-3-methylcyclopentan-1-amine.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)methyl]-3-methylcyclopentan-1-amine?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)methyl]-3-methylcyclopentan-1-amine is COc1ccc(OC)c(CNC2CCC(C)C2)c1.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)methyl]-3-methylcyclopentan-1-amine?
The InChIKey is FJCVGRQMVDKZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11-4-5-13(8-11)16-10-12-9-14(17-2)6-7-15(12)18-3/h6-7,9,11,13,16H,4-5,8,10H2,1-3H3.
What are the key properties of N-[(2,5-dimethoxyphenyl)methyl]-3-methylcyclopentan-1-amine?
N-[(2,5-dimethoxyphenyl)methyl]-3-methylcyclopentan-1-amine has a molecular weight of 249.35 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxyphenyl)methyl]-3-methylcyclopentan-1-amine is sourced from PubChem (CID 115651792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).