2-(2,5-dimethylphenyl)-N-ethyl-1-(2-methylcyclopentyl)ethanamine

C18H29N — CID 107179634

IUPAC2-(2,5-dimethylphenyl)-N-ethyl-1-(2-methylcyclopentyl)ethanamine
SMILESCCNC(Cc1cc(C)ccc1C)C1CCCC1C
InChIInChI=1S/C18H29N/c1-5-19-18(17-8-6-7-15(17)4)12-16-11-13(2)9-10-14(16)3/h9-11,15,17-19H,5-8,12H2,1-4H3
InChIKeyVHHLJXCAXHWWJH-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.26
Rot. Bonds5

About 2-(2,5-dimethylphenyl)-N-ethyl-1-(2-methylcyclopentyl)ethanamine

2-(2,5-dimethylphenyl)-N-ethyl-1-(2-methylcyclopentyl)ethanamine (PubChem CID 107179634) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-N-ethyl-1-(2-methylcyclopentyl)ethanamine.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-N-ethyl-1-(2-methylcyclopentyl)ethanamine
PubChem CID107179634
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name2-(2,5-dimethylphenyl)-N-ethyl-1-(2-methylcyclopentyl)ethanamine
SMILESCCNC(Cc1cc(C)ccc1C)C1CCCC1C
InChIInChI=1S/C18H29N/c1-5-19-18(17-8-6-7-15(17)4)12-16-11-13(2)9-10-14(16)3/h9-11,15,17-19H,5-8,12H2,1-4H3
InChIKeyVHHLJXCAXHWWJH-UHFFFAOYSA-N
XLogP4.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-2-(4-fluoro-2-methylphenyl)-1-(2-methylcyclopentyl)ethanamine
CID 107191349
2-(2,5-dimethylphenyl)-N-ethyl-1-(3-ethyl-1,4-dithian-2-yl)ethanamine
CID 115387941
1-cyclobutyl-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 62539513
[1-cyclobutyl-2-(2,5-dimethylphenyl)ethyl]hydrazine
CID 105224346
N-[1-cyclopropyl-2-(2,5-dimethylphenyl)ethyl]propan-1-amine
CID 61482130
2-(2-methoxy-5-methylphenyl)-N-methyl-1-(2-methylcyclopentyl)ethanamine
CID 107188088
N-ethyl-1-(2-methylcyclopentyl)-2-thiophen-2-ylethanamine
CID 107179496
N-ethyl-2-(furan-2-yl)-1-(2-methylcyclopentyl)ethanamine
CID 107190614
[1-(6-bicyclo[3.1.0]hexanyl)-2-(2,5-dimethylphenyl)ethyl]hydrazine
CID 105287770
2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(2-methylcyclopentyl)ethanamine
CID 107892586
N-[(2-methylcyclopentyl)-(2,3,5,6-tetramethylphenyl)methyl]ethanamine
CID 107177395
1-(2,5-dimethylphenyl)-N-ethylpentan-2-amine
CID 61482090

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-N-ethyl-1-(2-methylcyclopentyl)ethanamine?
The IUPAC name of 2-(2,5-dimethylphenyl)-N-ethyl-1-(2-methylcyclopentyl)ethanamine (CID 107179634) is 2-(2,5-dimethylphenyl)-N-ethyl-1-(2-methylcyclopentyl)ethanamine.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-N-ethyl-1-(2-methylcyclopentyl)ethanamine?
The canonical SMILES for 2-(2,5-dimethylphenyl)-N-ethyl-1-(2-methylcyclopentyl)ethanamine is CCNC(Cc1cc(C)ccc1C)C1CCCC1C.
What is the InChIKey of 2-(2,5-dimethylphenyl)-N-ethyl-1-(2-methylcyclopentyl)ethanamine?
The InChIKey is VHHLJXCAXHWWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-5-19-18(17-8-6-7-15(17)4)12-16-11-13(2)9-10-14(16)3/h9-11,15,17-19H,5-8,12H2,1-4H3.
What are the key properties of 2-(2,5-dimethylphenyl)-N-ethyl-1-(2-methylcyclopentyl)ethanamine?
2-(2,5-dimethylphenyl)-N-ethyl-1-(2-methylcyclopentyl)ethanamine has a molecular weight of 259.44 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-N-ethyl-1-(2-methylcyclopentyl)ethanamine is sourced from PubChem (CID 107179634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).