1-(3,4-dimethylphenyl)-N-[(2-methylcyclopentyl)methyl]ethanamine

C17H27N — CID 107417364

IUPAC1-(3,4-dimethylphenyl)-N-[(2-methylcyclopentyl)methyl]ethanamine
SMILESCc1ccc(C(C)NCC2CCCC2C)cc1C
InChIInChI=1S/C17H27N/c1-12-8-9-16(10-14(12)3)15(4)18-11-17-7-5-6-13(17)2/h8-10,13,15,17-18H,5-7,11H2,1-4H3
InChIKeyZCPKGOXZGPGQMZ-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.39
Rot. Bonds4

About 1-(3,4-dimethylphenyl)-N-[(2-methylcyclopentyl)methyl]ethanamine

1-(3,4-dimethylphenyl)-N-[(2-methylcyclopentyl)methyl]ethanamine (PubChem CID 107417364) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-N-[(2-methylcyclopentyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-N-[(2-methylcyclopentyl)methyl]ethanamine
PubChem CID107417364
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name1-(3,4-dimethylphenyl)-N-[(2-methylcyclopentyl)methyl]ethanamine
SMILESCc1ccc(C(C)NCC2CCCC2C)cc1C
InChIInChI=1S/C17H27N/c1-12-8-9-16(10-14(12)3)15(4)18-11-17-7-5-6-13(17)2/h8-10,13,15,17-18H,5-7,11H2,1-4H3
InChIKeyZCPKGOXZGPGQMZ-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)methyl]-1-phenylethanamine
CID 107417351
3-[[1-(3,4-dimethylphenyl)ethylamino]methyl]cyclohexan-1-ol
CID 103785848
N-[(2-methylcyclopentyl)methyl]-1-(2,4,6-trimethylphenyl)ethanamine
CID 107417014
N-[(2-methylcyclohexyl)methyl]-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 63455907
1-(1-benzofuran-2-yl)-N-[(2-methylcyclopentyl)methyl]ethanamine
CID 107417019
N-[(3,4-dimethylphenyl)methyl]-1-(2-methylcyclohexyl)methanamine
CID 55194085
5-fluoro-2-[1-[(2-methylcyclopentyl)methylamino]ethyl]phenol
CID 107417292
1-(2,4-difluorophenyl)-N-[(2-methylcyclohexyl)methyl]ethanamine
CID 63453969
1-(2-ethoxyphenyl)-N-[(2-methylcyclopentyl)methyl]ethanamine
CID 107416791
N-[(2-methylcyclohexyl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine
CID 102612549
N-[1-(3,4-dimethylphenyl)ethyl]-2,2-difluoroethanamine
CID 115405623
N-cyclopropyl-2-[1-(3,4-dimethylphenyl)ethylamino]acetamide
CID 43568283

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-N-[(2-methylcyclopentyl)methyl]ethanamine?
The IUPAC name of 1-(3,4-dimethylphenyl)-N-[(2-methylcyclopentyl)methyl]ethanamine (CID 107417364) is 1-(3,4-dimethylphenyl)-N-[(2-methylcyclopentyl)methyl]ethanamine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-N-[(2-methylcyclopentyl)methyl]ethanamine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-N-[(2-methylcyclopentyl)methyl]ethanamine is Cc1ccc(C(C)NCC2CCCC2C)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-N-[(2-methylcyclopentyl)methyl]ethanamine?
The InChIKey is ZCPKGOXZGPGQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-12-8-9-16(10-14(12)3)15(4)18-11-17-7-5-6-13(17)2/h8-10,13,15,17-18H,5-7,11H2,1-4H3.
What are the key properties of 1-(3,4-dimethylphenyl)-N-[(2-methylcyclopentyl)methyl]ethanamine?
1-(3,4-dimethylphenyl)-N-[(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 1-(3,4-dimethylphenyl)-N-[(2-methylcyclopentyl)methyl]ethanamine is sourced from PubChem (CID 107417364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).