N-[(3-methylcyclopentyl)methyl]-1-(2-methylphenyl)ethanamine

C16H25N — CID 107411455

IUPACN-[(3-methylcyclopentyl)methyl]-1-(2-methylphenyl)ethanamine
SMILESCc1ccccc1C(C)NCC1CCC(C)C1
InChIInChI=1S/C16H25N/c1-12-8-9-15(10-12)11-17-14(3)16-7-5-4-6-13(16)2/h4-7,12,14-15,17H,8-11H2,1-3H3
InChIKeyIZKRQTWEWJFAJK-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.08
Rot. Bonds4

About N-[(3-methylcyclopentyl)methyl]-1-(2-methylphenyl)ethanamine

N-[(3-methylcyclopentyl)methyl]-1-(2-methylphenyl)ethanamine (PubChem CID 107411455) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is N-[(3-methylcyclopentyl)methyl]-1-(2-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-[(3-methylcyclopentyl)methyl]-1-(2-methylphenyl)ethanamine
PubChem CID107411455
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC NameN-[(3-methylcyclopentyl)methyl]-1-(2-methylphenyl)ethanamine
SMILESCc1ccccc1C(C)NCC1CCC(C)C1
InChIInChI=1S/C16H25N/c1-12-8-9-15(10-12)11-17-14(3)16-7-5-4-6-13(16)2/h4-7,12,14-15,17H,8-11H2,1-3H3
InChIKeyIZKRQTWEWJFAJK-UHFFFAOYSA-N
XLogP4.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-fluorophenyl)-N-[(3-methylcyclopentyl)methyl]ethanamine
CID 107411471
1-(2-methylphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine
CID 54927501
(1S)-1-(2-methoxyphenyl)-N-[(3-methylcyclohexyl)methyl]ethanamine
CID 81397121
(1R)-1-(2-bromophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 81378377
3-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]cyclopentan-1-amine
CID 81374284
1-(3-methyl-1-benzothiophen-2-yl)-N-[(3-methylcyclopentyl)methyl]ethanamine
CID 107411946
1-(4-fluorophenyl)-N-[(3-methylcyclopentyl)methyl]ethanamine
CID 107411910
2,5-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 81373172
2,4-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 81375454
4-methyl-N-[1-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 43081539
1-(2-methylphenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 54940082
3-methyl-N-[1-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 43081561

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylcyclopentyl)methyl]-1-(2-methylphenyl)ethanamine?
The IUPAC name of N-[(3-methylcyclopentyl)methyl]-1-(2-methylphenyl)ethanamine (CID 107411455) is N-[(3-methylcyclopentyl)methyl]-1-(2-methylphenyl)ethanamine.
What is the SMILES notation for N-[(3-methylcyclopentyl)methyl]-1-(2-methylphenyl)ethanamine?
The canonical SMILES for N-[(3-methylcyclopentyl)methyl]-1-(2-methylphenyl)ethanamine is Cc1ccccc1C(C)NCC1CCC(C)C1.
What is the InChIKey of N-[(3-methylcyclopentyl)methyl]-1-(2-methylphenyl)ethanamine?
The InChIKey is IZKRQTWEWJFAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-12-8-9-15(10-12)11-17-14(3)16-7-5-4-6-13(16)2/h4-7,12,14-15,17H,8-11H2,1-3H3.
What are the key properties of N-[(3-methylcyclopentyl)methyl]-1-(2-methylphenyl)ethanamine?
N-[(3-methylcyclopentyl)methyl]-1-(2-methylphenyl)ethanamine has a molecular weight of 231.38 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylcyclopentyl)methyl]-1-(2-methylphenyl)ethanamine is sourced from PubChem (CID 107411455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).