N-[3-(3-methoxyphenyl)cyclobutyl]-2-methylcyclopentan-1-amine

C17H25NO — CID 63278373

IUPACN-[3-(3-methoxyphenyl)cyclobutyl]-2-methylcyclopentan-1-amine
SMILESCOc1cccc(C2CC(NC3CCCC3C)C2)c1
InChIInChI=1S/C17H25NO/c1-12-5-3-8-17(12)18-15-9-14(10-15)13-6-4-7-16(11-13)19-2/h4,6-7,11-12,14-15,17-18H,3,5,8-10H2,1-2H3
InChIKeyMOKFYZKSKGCIRQ-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.72
Rot. Bonds4

About N-[3-(3-methoxyphenyl)cyclobutyl]-2-methylcyclopentan-1-amine

N-[3-(3-methoxyphenyl)cyclobutyl]-2-methylcyclopentan-1-amine (PubChem CID 63278373) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N-[3-(3-methoxyphenyl)cyclobutyl]-2-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[3-(3-methoxyphenyl)cyclobutyl]-2-methylcyclopentan-1-amine
PubChem CID63278373
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN-[3-(3-methoxyphenyl)cyclobutyl]-2-methylcyclopentan-1-amine
SMILESCOc1cccc(C2CC(NC3CCCC3C)C2)c1
InChIInChI=1S/C17H25NO/c1-12-5-3-8-17(12)18-15-9-14(10-15)13-6-4-7-16(11-13)19-2/h4,6-7,11-12,14-15,17-18H,3,5,8-10H2,1-2H3
InChIKeyMOKFYZKSKGCIRQ-UHFFFAOYSA-N
XLogP3.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-(3-phenylcyclobutyl)cyclohexan-1-amine
CID 43632161
3-methoxy-N-[(1S,2S)-2-methylcyclopentyl]aniline
CID 96923143
1-cyclopropyl-3-methoxybenzene;methane
CID 169265234
N'-cyclopropyl-N-[3-(3-methoxyphenyl)cyclobutyl]-N'-methylethane-1,2-diamine
CID 62975535
1-[[[3-(3-methoxyphenyl)cyclobutyl]amino]methyl]cyclopentan-1-ol
CID 65105160
1-cyclopropyl-3-methoxybenzene;methanol
CID 70274289
carbanide;1-cyclopropyl-3-methoxybenzene;tungsten
CID 169265135
N-(2,3-dimethylbutyl)-3-(3-methoxyphenyl)cyclobutan-1-amine
CID 64569258
3-fluoro-N-[3-(3-methoxyphenyl)cyclobutyl]aniline
CID 43633456
3-(3-methoxyphenyl)-N-(2-methylsulfanylethyl)cyclobutan-1-amine
CID 63981363
N-(2,2-dimethylbutyl)-3-(3-methoxyphenyl)cyclobutan-1-amine
CID 103699490
2-(3-methoxyphenyl)-N-methylcyclohexan-1-amine
CID 62603851

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methoxyphenyl)cyclobutyl]-2-methylcyclopentan-1-amine?
The IUPAC name of N-[3-(3-methoxyphenyl)cyclobutyl]-2-methylcyclopentan-1-amine (CID 63278373) is N-[3-(3-methoxyphenyl)cyclobutyl]-2-methylcyclopentan-1-amine.
What is the SMILES notation for N-[3-(3-methoxyphenyl)cyclobutyl]-2-methylcyclopentan-1-amine?
The canonical SMILES for N-[3-(3-methoxyphenyl)cyclobutyl]-2-methylcyclopentan-1-amine is COc1cccc(C2CC(NC3CCCC3C)C2)c1.
What is the InChIKey of N-[3-(3-methoxyphenyl)cyclobutyl]-2-methylcyclopentan-1-amine?
The InChIKey is MOKFYZKSKGCIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-12-5-3-8-17(12)18-15-9-14(10-15)13-6-4-7-16(11-13)19-2/h4,6-7,11-12,14-15,17-18H,3,5,8-10H2,1-2H3.
What are the key properties of N-[3-(3-methoxyphenyl)cyclobutyl]-2-methylcyclopentan-1-amine?
N-[3-(3-methoxyphenyl)cyclobutyl]-2-methylcyclopentan-1-amine has a molecular weight of 259.39 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methoxyphenyl)cyclobutyl]-2-methylcyclopentan-1-amine is sourced from PubChem (CID 63278373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).