N-[[2-[(2-methylphenyl)methyl]cyclopentyl]methyl]ethanamine

C16H25N — CID 81033027

IUPACN-[[2-[(2-methylphenyl)methyl]cyclopentyl]methyl]ethanamine
SMILESCCNCC1CCCC1Cc1ccccc1C
InChIInChI=1S/C16H25N/c1-3-17-12-16-10-6-9-15(16)11-14-8-5-4-7-13(14)2/h4-5,7-8,15-17H,3,6,9-12H2,1-2H3
InChIKeyFYAFQCJEXOHHAW-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.56
Rot. Bonds5

About N-[[2-[(2-methylphenyl)methyl]cyclopentyl]methyl]ethanamine

N-[[2-[(2-methylphenyl)methyl]cyclopentyl]methyl]ethanamine (PubChem CID 81033027) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is N-[[2-[(2-methylphenyl)methyl]cyclopentyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[(2-methylphenyl)methyl]cyclopentyl]methyl]ethanamine
PubChem CID81033027
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC NameN-[[2-[(2-methylphenyl)methyl]cyclopentyl]methyl]ethanamine
SMILESCCNCC1CCCC1Cc1ccccc1C
InChIInChI=1S/C16H25N/c1-3-17-12-16-10-6-9-15(16)11-14-8-5-4-7-13(14)2/h4-5,7-8,15-17H,3,6,9-12H2,1-2H3
InChIKeyFYAFQCJEXOHHAW-UHFFFAOYSA-N
XLogP3.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-[(2-methylphenyl)methyl]cyclobutyl]methyl]ethanamine
CID 81017088
N-ethyl-2-[(2-methylphenyl)methyl]cyclopentan-1-amine
CID 61381447
N-[[2-[(2-methoxyphenyl)methyl]cyclohexyl]methyl]ethanamine
CID 81028833
2-methyl-N-[[2-[(2-methylphenyl)methyl]cycloheptyl]methyl]propan-2-amine
CID 81035080
N-[[2-[(2-chloro-3-fluorophenyl)methyl]cycloheptyl]methyl]ethanamine
CID 115984723
N-[[2-[(2-methoxyphenyl)methyl]cyclobutyl]methyl]ethanamine
CID 81018226
N-[[2-[(2-methoxy-5-methylphenyl)methyl]cyclopentyl]methyl]ethanamine
CID 81033186
1-methyl-2-[(2-methylphenyl)methyl]cycloheptane
CID 145268468
2-[(2-methylphenyl)methyl]-N-propylcyclohexan-1-amine
CID 61382239
N-[[2-[(4-bromo-2-fluorophenyl)methyl]cyclopentyl]methyl]ethanamine
CID 81033024
N-[[2-[(3-chloro-4-pyridinyl)methyl]cyclopentyl]methyl]ethanamine
CID 81034147
N-[[2-[(2-methoxyphenyl)methyl]cyclopentyl]methyl]propan-1-amine
CID 81034455

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-methylphenyl)methyl]cyclopentyl]methyl]ethanamine?
The IUPAC name of N-[[2-[(2-methylphenyl)methyl]cyclopentyl]methyl]ethanamine (CID 81033027) is N-[[2-[(2-methylphenyl)methyl]cyclopentyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[(2-methylphenyl)methyl]cyclopentyl]methyl]ethanamine?
The canonical SMILES for N-[[2-[(2-methylphenyl)methyl]cyclopentyl]methyl]ethanamine is CCNCC1CCCC1Cc1ccccc1C.
What is the InChIKey of N-[[2-[(2-methylphenyl)methyl]cyclopentyl]methyl]ethanamine?
The InChIKey is FYAFQCJEXOHHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-3-17-12-16-10-6-9-15(16)11-14-8-5-4-7-13(14)2/h4-5,7-8,15-17H,3,6,9-12H2,1-2H3.
What are the key properties of N-[[2-[(2-methylphenyl)methyl]cyclopentyl]methyl]ethanamine?
N-[[2-[(2-methylphenyl)methyl]cyclopentyl]methyl]ethanamine has a molecular weight of 231.38 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-methylphenyl)methyl]cyclopentyl]methyl]ethanamine is sourced from PubChem (CID 81033027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).