N-[1-(2-methoxyphenyl)propan-2-yl]-2,2-dimethylcyclopentan-1-amine

C17H27NO — CID 79859791

IUPACN-[1-(2-methoxyphenyl)propan-2-yl]-2,2-dimethylcyclopentan-1-amine
SMILESCOc1ccccc1CC(C)NC1CCCC1(C)C
InChIInChI=1S/C17H27NO/c1-13(18-16-10-7-11-17(16,2)3)12-14-8-5-6-9-15(14)19-4/h5-6,8-9,13,16,18H,7,10-12H2,1-4H3
InChIKeyYVXIAJAQIKTHOW-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.79
Rot. Bonds5

About N-[1-(2-methoxyphenyl)propan-2-yl]-2,2-dimethylcyclopentan-1-amine

N-[1-(2-methoxyphenyl)propan-2-yl]-2,2-dimethylcyclopentan-1-amine (PubChem CID 79859791) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)propan-2-yl]-2,2-dimethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)propan-2-yl]-2,2-dimethylcyclopentan-1-amine
PubChem CID79859791
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[1-(2-methoxyphenyl)propan-2-yl]-2,2-dimethylcyclopentan-1-amine
SMILESCOc1ccccc1CC(C)NC1CCCC1(C)C
InChIInChI=1S/C17H27NO/c1-13(18-16-10-7-11-17(16,2)3)12-14-8-5-6-9-15(14)19-4/h5-6,8-9,13,16,18H,7,10-12H2,1-4H3
InChIKeyYVXIAJAQIKTHOW-UHFFFAOYSA-N
XLogP3.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2-dimethylcyclopentyl)-N-ethyl-2-(2-methoxyphenyl)ethanamine
CID 107179538
N-[1-(2-methoxyphenyl)propan-2-yl]-4-methylcycloheptan-1-amine
CID 65079928
N-[1-(2-methoxyphenyl)propan-2-yl]-2,3-dihydro-1H-inden-2-amine
CID 60935059
2,2-dimethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]cyclopentan-1-amine
CID 79856875
N-[1-(2-methoxyphenyl)propan-2-yl]-3-methylcyclopentan-1-amine
CID 64501539
4-ethyl-N-[1-(2-methoxyphenyl)propan-2-yl]cycloheptan-1-amine
CID 65083104
1-cyclobutyl-N-[1-(2-methoxyphenyl)propan-2-yl]propan-2-amine
CID 115710215
N-[1-(3-chlorophenyl)propan-2-yl]-2,2-dimethylcyclopentan-1-amine
CID 79860721
N-[1-(4-methoxyphenyl)ethyl]-2,2-dimethylcyclopentan-1-amine
CID 79857327
1-[[1-(2-methoxyphenyl)propan-2-ylamino]methyl]cyclopentan-1-ol
CID 65105268
(3R)-N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-1,1-dioxothiolan-3-amine
CID 93318970
[2-[(2-methoxyphenyl)methylamino]-1-methylcyclopentyl]methanol
CID 111468885

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)propan-2-yl]-2,2-dimethylcyclopentan-1-amine?
The IUPAC name of N-[1-(2-methoxyphenyl)propan-2-yl]-2,2-dimethylcyclopentan-1-amine (CID 79859791) is N-[1-(2-methoxyphenyl)propan-2-yl]-2,2-dimethylcyclopentan-1-amine.
What is the SMILES notation for N-[1-(2-methoxyphenyl)propan-2-yl]-2,2-dimethylcyclopentan-1-amine?
The canonical SMILES for N-[1-(2-methoxyphenyl)propan-2-yl]-2,2-dimethylcyclopentan-1-amine is COc1ccccc1CC(C)NC1CCCC1(C)C.
What is the InChIKey of N-[1-(2-methoxyphenyl)propan-2-yl]-2,2-dimethylcyclopentan-1-amine?
The InChIKey is YVXIAJAQIKTHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-13(18-16-10-7-11-17(16,2)3)12-14-8-5-6-9-15(14)19-4/h5-6,8-9,13,16,18H,7,10-12H2,1-4H3.
What are the key properties of N-[1-(2-methoxyphenyl)propan-2-yl]-2,2-dimethylcyclopentan-1-amine?
N-[1-(2-methoxyphenyl)propan-2-yl]-2,2-dimethylcyclopentan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.79, 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]-2,2-dimethylcyclopentan-1-amine is sourced from PubChem (CID 79859791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).