N-[1-(4-methoxyphenyl)ethyl]-2,2-dimethylcyclopentan-1-amine

C16H25NO — CID 79857327

IUPACN-[1-(4-methoxyphenyl)ethyl]-2,2-dimethylcyclopentan-1-amine
SMILESCOc1ccc(C(C)NC2CCCC2(C)C)cc1
InChIInChI=1S/C16H25NO/c1-12(13-7-9-14(18-4)10-8-13)17-15-6-5-11-16(15,2)3/h7-10,12,15,17H,5-6,11H2,1-4H3
InChIKeyZIWKKGMJFFWGTG-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.92
Rot. Bonds4

About N-[1-(4-methoxyphenyl)ethyl]-2,2-dimethylcyclopentan-1-amine

N-[1-(4-methoxyphenyl)ethyl]-2,2-dimethylcyclopentan-1-amine (PubChem CID 79857327) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)ethyl]-2,2-dimethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)ethyl]-2,2-dimethylcyclopentan-1-amine
PubChem CID79857327
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[1-(4-methoxyphenyl)ethyl]-2,2-dimethylcyclopentan-1-amine
SMILESCOc1ccc(C(C)NC2CCCC2(C)C)cc1
InChIInChI=1S/C16H25NO/c1-12(13-7-9-14(18-4)10-8-13)17-15-6-5-11-16(15,2)3/h7-10,12,15,17H,5-6,11H2,1-4H3
InChIKeyZIWKKGMJFFWGTG-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-(4-ethoxyphenyl)ethyl]-2,2-dimethylcyclopentan-1-amine
CID 79860500
2,2-dimethyl-N-[1-(4-propoxyphenyl)ethyl]cyclopentan-1-amine
CID 79861209
(4R)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-8-azaspiro[4.5]decan-4-amine
CID 118247870
N-[1-(4-methoxyphenyl)ethyl]spiro[3.5]nonan-3-amine
CID 102952051
N-[(1S)-1-(4-chlorophenyl)ethyl]-2,2-dimethylcyclohexan-1-amine
CID 81352952
N-[(1R)-1-(4-bromophenyl)ethyl]-2,2-dimethylcyclohexan-1-amine
CID 81354568
N-[(1S)-1-(4-methoxyphenyl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 81368051
N-[1-(4-methoxyphenyl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 43683824
N-[1-(4-methoxyphenyl)ethyl]cyclohexanamine
CID 43189950
2,2-dimethyl-N-[1-(4-propylphenyl)ethyl]cyclohexan-1-amine
CID 79861249
2-[(2,2-dimethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol
CID 79871773
(1S)-N-(cyclobutylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 81371090

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-2,2-dimethylcyclopentan-1-amine?
The IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-2,2-dimethylcyclopentan-1-amine (CID 79857327) is N-[1-(4-methoxyphenyl)ethyl]-2,2-dimethylcyclopentan-1-amine.
What is the SMILES notation for N-[1-(4-methoxyphenyl)ethyl]-2,2-dimethylcyclopentan-1-amine?
The canonical SMILES for N-[1-(4-methoxyphenyl)ethyl]-2,2-dimethylcyclopentan-1-amine is COc1ccc(C(C)NC2CCCC2(C)C)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)ethyl]-2,2-dimethylcyclopentan-1-amine?
The InChIKey is ZIWKKGMJFFWGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12(13-7-9-14(18-4)10-8-13)17-15-6-5-11-16(15,2)3/h7-10,12,15,17H,5-6,11H2,1-4H3.
What are the key properties of N-[1-(4-methoxyphenyl)ethyl]-2,2-dimethylcyclopentan-1-amine?
N-[1-(4-methoxyphenyl)ethyl]-2,2-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-(4-methoxyphenyl)ethyl]-2,2-dimethylcyclopentan-1-amine is sourced from PubChem (CID 79857327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).