3-[2-(4-methoxyphenyl)ethyl]cycloheptan-1-amine

C16H25NO — CID 65443041

IUPAC3-[2-(4-methoxyphenyl)ethyl]cycloheptan-1-amine
SMILESCOc1ccc(CCC2CCCCC(N)C2)cc1
InChIInChI=1S/C16H25NO/c1-18-16-10-8-13(9-11-16)6-7-14-4-2-3-5-15(17)12-14/h8-11,14-15H,2-7,12,17H2,1H3
InChIKeyHPHNLUCRKJDFFN-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.54
Rot. Bonds4

About 3-[2-(4-methoxyphenyl)ethyl]cycloheptan-1-amine

3-[2-(4-methoxyphenyl)ethyl]cycloheptan-1-amine (PubChem CID 65443041) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 3-[2-(4-methoxyphenyl)ethyl]cycloheptan-1-amine.

Molecular Properties

Compound Name3-[2-(4-methoxyphenyl)ethyl]cycloheptan-1-amine
PubChem CID65443041
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name3-[2-(4-methoxyphenyl)ethyl]cycloheptan-1-amine
SMILESCOc1ccc(CCC2CCCCC(N)C2)cc1
InChIInChI=1S/C16H25NO/c1-18-16-10-8-13(9-11-16)6-7-14-4-2-3-5-15(17)12-14/h8-11,14-15H,2-7,12,17H2,1H3
InChIKeyHPHNLUCRKJDFFN-UHFFFAOYSA-N
XLogP3.54
TPSA35.25 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 ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,3R)-3-[2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol
CID 11506917
3-[2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol
CID 65444252
3-[2-(4-methoxyphenyl)ethyl]-N-propylcyclohexan-1-amine
CID 65441665
[2-[2-(4-methoxyphenyl)ethyl]cycloheptyl]methanamine
CID 81010620
(3S)-3-[2-(4-methoxyphenyl)ethyl]-1-methylpyrrolidine
CID 150264737
[4-[2-(4-methoxyphenyl)ethyl]cyclohexyl]-diphenylmethanol
CID 118329138
5-[2-(4-methoxyphenyl)ethyl]-2-methylpiperidine
CID 106779333
1-[2-(4-methoxyphenyl)ethyl]piperidin-3-amine
CID 61296672
1-[2-(2-cyclopropyl-2-methylcyclopentyl)ethyl]-4-methoxybenzene
CID 172994437
3-amino-N-[2-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119673157
[(1S,4R)-4-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylcyclopentyl]methanol
CID 11161337
4-[2-(4-methoxyphenyl)ethyl]-1-pyrrolidin-1-ylsulfonylpiperidine
CID 134017737

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methoxyphenyl)ethyl]cycloheptan-1-amine?
The IUPAC name of 3-[2-(4-methoxyphenyl)ethyl]cycloheptan-1-amine (CID 65443041) is 3-[2-(4-methoxyphenyl)ethyl]cycloheptan-1-amine.
What is the SMILES notation for 3-[2-(4-methoxyphenyl)ethyl]cycloheptan-1-amine?
The canonical SMILES for 3-[2-(4-methoxyphenyl)ethyl]cycloheptan-1-amine is COc1ccc(CCC2CCCCC(N)C2)cc1.
What is the InChIKey of 3-[2-(4-methoxyphenyl)ethyl]cycloheptan-1-amine?
The InChIKey is HPHNLUCRKJDFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-18-16-10-8-13(9-11-16)6-7-14-4-2-3-5-15(17)12-14/h8-11,14-15H,2-7,12,17H2,1H3.
What are the key properties of 3-[2-(4-methoxyphenyl)ethyl]cycloheptan-1-amine?
3-[2-(4-methoxyphenyl)ethyl]cycloheptan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methoxyphenyl)ethyl]cycloheptan-1-amine is sourced from PubChem (CID 65443041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).