N-[[2-(4-methoxyphenyl)cyclopentyl]methyl]-2-methylpropan-2-amine

C17H27NO — CID 81027158

IUPACN-[[2-(4-methoxyphenyl)cyclopentyl]methyl]-2-methylpropan-2-amine
SMILESCOc1ccc(C2CCCC2CNC(C)(C)C)cc1
InChIInChI=1S/C17H27NO/c1-17(2,3)18-12-14-6-5-7-16(14)13-8-10-15(19-4)11-9-13/h8-11,14,16,18H,5-7,12H2,1-4H3
InChIKeyAHNMIAUYFSGABC-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.97
Rot. Bonds4

About N-[[2-(4-methoxyphenyl)cyclopentyl]methyl]-2-methylpropan-2-amine

N-[[2-(4-methoxyphenyl)cyclopentyl]methyl]-2-methylpropan-2-amine (PubChem CID 81027158) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[[2-(4-methoxyphenyl)cyclopentyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(4-methoxyphenyl)cyclopentyl]methyl]-2-methylpropan-2-amine
PubChem CID81027158
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[[2-(4-methoxyphenyl)cyclopentyl]methyl]-2-methylpropan-2-amine
SMILESCOc1ccc(C2CCCC2CNC(C)(C)C)cc1
InChIInChI=1S/C17H27NO/c1-17(2,3)18-12-14-6-5-7-16(14)13-8-10-15(19-4)11-9-13/h8-11,14,16,18H,5-7,12H2,1-4H3
InChIKeyAHNMIAUYFSGABC-UHFFFAOYSA-N
XLogP3.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(4-chlorophenyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 81024853
N-[[2-(3,4-dimethoxyphenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 81022910
2-methyl-N-[(2-thiophen-3-ylcyclopentyl)methyl]propan-2-amine
CID 81027535
N-[[2-(4-tert-butylphenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 81022912
N-[[2-(4-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 81021961
1-methoxy-4-[2-(4-methoxyphenyl)cyclohexyl]benzene
CID 101244821
N-[[2-(4-methoxyphenyl)cyclobutyl]methyl]ethanamine
CID 81018235
N-[[2-(2,5-dimethoxyphenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 81023713
N-[[2-(3-ethoxyphenyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 81027960
2-methyl-N-[(2-thiophen-3-ylcycloheptyl)methyl]propan-2-amine
CID 81025625
2-methyl-N-[[2-(2-methylphenyl)cyclopentyl]methyl]propan-2-amine
CID 81028338
2-[4-(4-methoxyphenyl)phenyl]cyclopentan-1-amine
CID 69111845

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methoxyphenyl)cyclopentyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(4-methoxyphenyl)cyclopentyl]methyl]-2-methylpropan-2-amine (CID 81027158) is N-[[2-(4-methoxyphenyl)cyclopentyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(4-methoxyphenyl)cyclopentyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(4-methoxyphenyl)cyclopentyl]methyl]-2-methylpropan-2-amine is COc1ccc(C2CCCC2CNC(C)(C)C)cc1.
What is the InChIKey of N-[[2-(4-methoxyphenyl)cyclopentyl]methyl]-2-methylpropan-2-amine?
The InChIKey is AHNMIAUYFSGABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-17(2,3)18-12-14-6-5-7-16(14)13-8-10-15(19-4)11-9-13/h8-11,14,16,18H,5-7,12H2,1-4H3.
What are the key properties of N-[[2-(4-methoxyphenyl)cyclopentyl]methyl]-2-methylpropan-2-amine?
N-[[2-(4-methoxyphenyl)cyclopentyl]methyl]-2-methylpropan-2-amine has a molecular weight of 261.41 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methoxyphenyl)cyclopentyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 81027158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).