N-[1-(2-methoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-amine

C16H25NO — CID 80692056

IUPACN-[1-(2-methoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-amine
SMILESCOc1ccccc1C(C)NC1CCC(C)(C)C1
InChIInChI=1S/C16H25NO/c1-12(14-7-5-6-8-15(14)18-4)17-13-9-10-16(2,3)11-13/h5-8,12-13,17H,9-11H2,1-4H3
InChIKeySEXATHDUTJAICX-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.92
Rot. Bonds4

About N-[1-(2-methoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-amine

N-[1-(2-methoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-amine (PubChem CID 80692056) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-amine
PubChem CID80692056
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[1-(2-methoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-amine
SMILESCOc1ccccc1C(C)NC1CCC(C)(C)C1
InChIInChI=1S/C16H25NO/c1-12(14-7-5-6-8-15(14)18-4)17-13-9-10-16(2,3)11-13/h5-8,12-13,17H,9-11H2,1-4H3
InChIKeySEXATHDUTJAICX-UHFFFAOYSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-amine
CID 80704998
N-[(1S)-1-(2-methoxyphenyl)ethyl]spiro[4.5]decan-8-amine
CID 104978861
N-[1-(2-methoxyphenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 43202101
N-[1-(3,4-dimethoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-amine
CID 80706040
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-amine
CID 80705092
3,3-dimethyl-N-[(1R)-1-phenylethyl]cyclopentan-1-amine
CID 81350463
N-[1-(2-methoxyphenyl)ethyl]-2,2-dimethyl-1,3-dioxan-5-amine
CID 104585233
N-[(1S)-1-(2-methoxyphenyl)ethyl]oxan-4-amine
CID 81397820
N-[(1S)-1-(2-methoxyphenyl)ethyl]azetidin-3-amine
CID 81397207
4,4-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 81373520
N-[1-(2-methoxyphenyl)ethyl]-1-methylpiperidin-4-amine
CID 43180903
N-[(1S)-1-(2-methoxyphenyl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 81397729

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-amine?
The IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-amine (CID 80692056) is N-[1-(2-methoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-amine.
What is the SMILES notation for N-[1-(2-methoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-amine?
The canonical SMILES for N-[1-(2-methoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-amine is COc1ccccc1C(C)NC1CCC(C)(C)C1.
What is the InChIKey of N-[1-(2-methoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-amine?
The InChIKey is SEXATHDUTJAICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12(14-7-5-6-8-15(14)18-4)17-13-9-10-16(2,3)11-13/h5-8,12-13,17H,9-11H2,1-4H3.
What are the key properties of N-[1-(2-methoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-amine?
N-[1-(2-methoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-amine is sourced from PubChem (CID 80692056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).