N-[(3,4-dimethylphenyl)-(3-ethylcyclopentyl)methyl]ethanamine

C18H29N — CID 65411811

IUPACN-[(3,4-dimethylphenyl)-(3-ethylcyclopentyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)c(C)c1)C1CCC(CC)C1
InChIInChI=1S/C18H29N/c1-5-15-8-10-17(12-15)18(19-6-2)16-9-7-13(3)14(4)11-16/h7,9,11,15,17-19H,5-6,8,10,12H2,1-4H3
InChIKeyLCBAURQBBCMCHX-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.78
Rot. Bonds5

About N-[(3,4-dimethylphenyl)-(3-ethylcyclopentyl)methyl]ethanamine

N-[(3,4-dimethylphenyl)-(3-ethylcyclopentyl)methyl]ethanamine (PubChem CID 65411811) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is N-[(3,4-dimethylphenyl)-(3-ethylcyclopentyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3,4-dimethylphenyl)-(3-ethylcyclopentyl)methyl]ethanamine
PubChem CID65411811
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC NameN-[(3,4-dimethylphenyl)-(3-ethylcyclopentyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)c(C)c1)C1CCC(CC)C1
InChIInChI=1S/C18H29N/c1-5-15-8-10-17(12-15)18(19-6-2)16-9-7-13(3)14(4)11-16/h7,9,11,15,17-19H,5-6,8,10,12H2,1-4H3
InChIKeyLCBAURQBBCMCHX-UHFFFAOYSA-N
XLogP4.78
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 ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-ethylcyclopentyl)-(4-ethylphenyl)methyl]ethanamine
CID 65411617
N-[cycloheptyl-(3,4-dimethylphenyl)methyl]ethanamine
CID 63507724
N-[(3-ethylcyclopentyl)-(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 65411816
N-[(3-ethylcyclopentyl)-(4-methylphenyl)methyl]propan-1-amine
CID 65410254
N-[(3,4-dimethylcyclohexyl)-(3,4-dimethylphenyl)methyl]propan-1-amine
CID 104989448
N-[(4-ethylcyclohexyl)-(3-methylphenyl)methyl]ethanamine
CID 64774201
N-[(3-ethylcyclopentyl)-(2,4,5-trimethylphenyl)methyl]propan-1-amine
CID 65409670
N-[(3-chloro-4-methylphenyl)-(4-propylcyclohexyl)methyl]ethanamine
CID 107560350
N-[(3-bromo-4-chlorophenyl)-(3-ethylcyclohexyl)methyl]ethanamine
CID 115567623
N-[(3-chloro-4-methylphenyl)-(3-ethylcyclohexyl)methyl]propan-1-amine
CID 104992258
N-[(3-ethylcyclopentyl)-phenylmethyl]propan-1-amine
CID 65412412
N-[(3-ethylcyclopentyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 65410246

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethylphenyl)-(3-ethylcyclopentyl)methyl]ethanamine?
The IUPAC name of N-[(3,4-dimethylphenyl)-(3-ethylcyclopentyl)methyl]ethanamine (CID 65411811) is N-[(3,4-dimethylphenyl)-(3-ethylcyclopentyl)methyl]ethanamine.
What is the SMILES notation for N-[(3,4-dimethylphenyl)-(3-ethylcyclopentyl)methyl]ethanamine?
The canonical SMILES for N-[(3,4-dimethylphenyl)-(3-ethylcyclopentyl)methyl]ethanamine is CCNC(c1ccc(C)c(C)c1)C1CCC(CC)C1.
What is the InChIKey of N-[(3,4-dimethylphenyl)-(3-ethylcyclopentyl)methyl]ethanamine?
The InChIKey is LCBAURQBBCMCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-5-15-8-10-17(12-15)18(19-6-2)16-9-7-13(3)14(4)11-16/h7,9,11,15,17-19H,5-6,8,10,12H2,1-4H3.
What are the key properties of N-[(3,4-dimethylphenyl)-(3-ethylcyclopentyl)methyl]ethanamine?
N-[(3,4-dimethylphenyl)-(3-ethylcyclopentyl)methyl]ethanamine has a molecular weight of 259.44 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethylphenyl)-(3-ethylcyclopentyl)methyl]ethanamine is sourced from PubChem (CID 65411811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).