N-[(3,5-dimethylphenyl)-(2-methylcyclopentyl)methyl]ethanamine

C17H27N — CID 107187849

IUPACN-[(3,5-dimethylphenyl)-(2-methylcyclopentyl)methyl]ethanamine
SMILESCCNC(c1cc(C)cc(C)c1)C1CCCC1C
InChIInChI=1S/C17H27N/c1-5-18-17(16-8-6-7-14(16)4)15-10-12(2)9-13(3)11-15/h9-11,14,16-18H,5-8H2,1-4H3
InChIKeyBYMNWBIYPDZAFD-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.39
Rot. Bonds4

About N-[(3,5-dimethylphenyl)-(2-methylcyclopentyl)methyl]ethanamine

N-[(3,5-dimethylphenyl)-(2-methylcyclopentyl)methyl]ethanamine (PubChem CID 107187849) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is N-[(3,5-dimethylphenyl)-(2-methylcyclopentyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3,5-dimethylphenyl)-(2-methylcyclopentyl)methyl]ethanamine
PubChem CID107187849
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC NameN-[(3,5-dimethylphenyl)-(2-methylcyclopentyl)methyl]ethanamine
SMILESCCNC(c1cc(C)cc(C)c1)C1CCCC1C
InChIInChI=1S/C17H27N/c1-5-18-17(16-8-6-7-14(16)4)15-10-12(2)9-13(3)11-15/h9-11,14,16-18H,5-8H2,1-4H3
InChIKeyBYMNWBIYPDZAFD-UHFFFAOYSA-N
XLogP4.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-methylcyclopentyl)-pyrimidin-5-ylmethyl]ethanamine
CID 107188092
N-[(2-methylcyclopentyl)-(2,3,5,6-tetramethylphenyl)methyl]ethanamine
CID 107177395
N-[(3-cyclopropyloxyphenyl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107191373
N-[(3-cyclobutylphenyl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107191450
N-[(2-methylcyclopentyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 107190433
N-[(2-methylcyclopentyl)-(2,4,5-trifluorophenyl)methyl]ethanamine
CID 107178293
[(3-fluoro-5-methylphenyl)-(2-methylcyclopentyl)methyl]hydrazine
CID 107194457
N-[(4-fluoro-3,5-dimethylphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107177899
5-[ethylamino-(2-methylcyclopentyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 107177387
N-[(4,5-dimethoxy-2-methylphenyl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107177620
N-[cyclopentyl-(3-fluoro-5-methylphenyl)methyl]ethanamine
CID 79704680
N-[(2,2-dimethylcyclohexyl)-(3,5-dimethylphenyl)methyl]ethanamine
CID 107187850

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylphenyl)-(2-methylcyclopentyl)methyl]ethanamine?
The IUPAC name of N-[(3,5-dimethylphenyl)-(2-methylcyclopentyl)methyl]ethanamine (CID 107187849) is N-[(3,5-dimethylphenyl)-(2-methylcyclopentyl)methyl]ethanamine.
What is the SMILES notation for N-[(3,5-dimethylphenyl)-(2-methylcyclopentyl)methyl]ethanamine?
The canonical SMILES for N-[(3,5-dimethylphenyl)-(2-methylcyclopentyl)methyl]ethanamine is CCNC(c1cc(C)cc(C)c1)C1CCCC1C.
What is the InChIKey of N-[(3,5-dimethylphenyl)-(2-methylcyclopentyl)methyl]ethanamine?
The InChIKey is BYMNWBIYPDZAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-5-18-17(16-8-6-7-14(16)4)15-10-12(2)9-13(3)11-15/h9-11,14,16-18H,5-8H2,1-4H3.
What are the key properties of N-[(3,5-dimethylphenyl)-(2-methylcyclopentyl)methyl]ethanamine?
N-[(3,5-dimethylphenyl)-(2-methylcyclopentyl)methyl]ethanamine has a molecular weight of 245.41 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylphenyl)-(2-methylcyclopentyl)methyl]ethanamine is sourced from PubChem (CID 107187849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).