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

C16H25NO — CID 64501539

IUPACN-[1-(2-methoxyphenyl)propan-2-yl]-3-methylcyclopentan-1-amine
SMILESCOc1ccccc1CC(C)NC1CCC(C)C1
InChIInChI=1S/C16H25NO/c1-12-8-9-15(10-12)17-13(2)11-14-6-4-5-7-16(14)18-3/h4-7,12-13,15,17H,8-11H2,1-3H3
InChIKeyFMDBWQVKFFQPJZ-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.40
Rot. Bonds5

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

N-[1-(2-methoxyphenyl)propan-2-yl]-3-methylcyclopentan-1-amine (PubChem CID 64501539) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)propan-2-yl]-3-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)propan-2-yl]-3-methylcyclopentan-1-amine
PubChem CID64501539
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[1-(2-methoxyphenyl)propan-2-yl]-3-methylcyclopentan-1-amine
SMILESCOc1ccccc1CC(C)NC1CCC(C)C1
InChIInChI=1S/C16H25NO/c1-12-8-9-15(10-12)17-13(2)11-14-6-4-5-7-16(14)18-3/h4-7,12-13,15,17H,8-11H2,1-3H3
InChIKeyFMDBWQVKFFQPJZ-UHFFFAOYSA-N
XLogP3.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-methoxyphenyl)propan-2-yl]-4-methylcycloheptan-1-amine
CID 65079928
4-ethyl-N-[1-(2-methoxyphenyl)propan-2-yl]cycloheptan-1-amine
CID 65083104
N-[1-(2-methoxyphenyl)propan-2-yl]-2,3-dihydro-1H-inden-2-amine
CID 60935059
(3R)-N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-1,1-dioxothiolan-3-amine
CID 93318970
2-(2-methoxyphenyl)-N-methyl-1-(3-methylcyclopentyl)ethanamine
CID 65414979
3-(2-methoxyphenyl)-2-methyl-2-N-(3-methylcyclopentyl)propane-1,2-diamine
CID 114544621
N-[1-(2-chlorophenyl)propan-2-yl]-4-methylcyclohexan-1-amine
CID 43677397
N-[1-(2-methoxyphenyl)propan-2-yl]-2,2-dimethylcyclopentan-1-amine
CID 79859791
cis-(1S,3R)-N-[(2S)-1-methoxypropan-2-yl]-3-methylcyclopentan-1-amine
CID 95368713
N-cyclopropyl-2-[1-(2-methoxyphenyl)propan-2-ylamino]acetamide
CID 43777963
cyclopentyl-[(3S)-3-[[(2S)-1-(2-methoxyphenyl)propan-2-yl]amino]pyrrolidin-1-yl]methanone
CID 97323731
cyclopentyl-[(3S)-3-[[(2R)-1-(2-methoxyphenyl)propan-2-yl]amino]pyrrolidin-1-yl]methanone
CID 97323732

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)propan-2-yl]-3-methylcyclopentan-1-amine?
The IUPAC name of N-[1-(2-methoxyphenyl)propan-2-yl]-3-methylcyclopentan-1-amine (CID 64501539) is N-[1-(2-methoxyphenyl)propan-2-yl]-3-methylcyclopentan-1-amine.
What is the SMILES notation for N-[1-(2-methoxyphenyl)propan-2-yl]-3-methylcyclopentan-1-amine?
The canonical SMILES for N-[1-(2-methoxyphenyl)propan-2-yl]-3-methylcyclopentan-1-amine is COc1ccccc1CC(C)NC1CCC(C)C1.
What is the InChIKey of N-[1-(2-methoxyphenyl)propan-2-yl]-3-methylcyclopentan-1-amine?
The InChIKey is FMDBWQVKFFQPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12-8-9-15(10-12)17-13(2)11-14-6-4-5-7-16(14)18-3/h4-7,12-13,15,17H,8-11H2,1-3H3.
What are the key properties of N-[1-(2-methoxyphenyl)propan-2-yl]-3-methylcyclopentan-1-amine?
N-[1-(2-methoxyphenyl)propan-2-yl]-3-methylcyclopentan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)propan-2-yl]-3-methylcyclopentan-1-amine is sourced from PubChem (CID 64501539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).