1-(3,5-dimethylcyclohexyl)-1-(4-ethylphenyl)ethanamine

C18H29N — CID 64728477

IUPAC1-(3,5-dimethylcyclohexyl)-1-(4-ethylphenyl)ethanamine
SMILESCCc1ccc(C(C)(N)C2CC(C)CC(C)C2)cc1
InChIInChI=1S/C18H29N/c1-5-15-6-8-16(9-7-15)18(4,19)17-11-13(2)10-14(3)12-17/h6-9,13-14,17H,5,10-12,19H2,1-4H3
InChIKeyZLOAEBSBVFBVCY-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.50
Rot. Bonds3

About 1-(3,5-dimethylcyclohexyl)-1-(4-ethylphenyl)ethanamine

1-(3,5-dimethylcyclohexyl)-1-(4-ethylphenyl)ethanamine (PubChem CID 64728477) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 1-(3,5-dimethylcyclohexyl)-1-(4-ethylphenyl)ethanamine.

Molecular Properties

Compound Name1-(3,5-dimethylcyclohexyl)-1-(4-ethylphenyl)ethanamine
PubChem CID64728477
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name1-(3,5-dimethylcyclohexyl)-1-(4-ethylphenyl)ethanamine
SMILESCCc1ccc(C(C)(N)C2CC(C)CC(C)C2)cc1
InChIInChI=1S/C18H29N/c1-5-15-6-8-16(9-7-15)18(4,19)17-11-13(2)10-14(3)12-17/h6-9,13-14,17H,5,10-12,19H2,1-4H3
InChIKeyZLOAEBSBVFBVCY-UHFFFAOYSA-N
XLogP4.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chlorophenyl)-1-(3,5-dimethylcyclohexyl)ethanamine
CID 64730487
1-(3-chlorophenyl)-1-(3,5-dimethylcyclohexyl)ethanamine
CID 64730488
1-tert-butyl-4-ethylbenzene
CID 157359507
2-amino-2-(4-ethylphenyl)propan-1-ol
CID 61054820
(3R,5R)-1-(4-ethylphenyl)-3,5-dimethylpiperidine
CID 59545269
1-cyclopropyl-1-(4-ethylphenyl)ethanol
CID 23255821
2-(3,5-dimethylcyclohexyl)-1-phenylbutan-2-amine
CID 79007933
(4-ethylphenyl)-phenylmethanediamine
CID 139628675
N,N-bis(4-tert-butylphenyl)-4-ethylaniline
CID 59863448
1-[(4-ethylphenyl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 64751651
1-(4-ethylphenyl)-1-(4-propylphenyl)ethanamine
CID 63408118
[(3,5-dimethylcyclohexyl)-(4-ethylphenyl)methyl]hydrazine
CID 105197458

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylcyclohexyl)-1-(4-ethylphenyl)ethanamine?
The IUPAC name of 1-(3,5-dimethylcyclohexyl)-1-(4-ethylphenyl)ethanamine (CID 64728477) is 1-(3,5-dimethylcyclohexyl)-1-(4-ethylphenyl)ethanamine.
What is the SMILES notation for 1-(3,5-dimethylcyclohexyl)-1-(4-ethylphenyl)ethanamine?
The canonical SMILES for 1-(3,5-dimethylcyclohexyl)-1-(4-ethylphenyl)ethanamine is CCc1ccc(C(C)(N)C2CC(C)CC(C)C2)cc1.
What is the InChIKey of 1-(3,5-dimethylcyclohexyl)-1-(4-ethylphenyl)ethanamine?
The InChIKey is ZLOAEBSBVFBVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-5-15-6-8-16(9-7-15)18(4,19)17-11-13(2)10-14(3)12-17/h6-9,13-14,17H,5,10-12,19H2,1-4H3.
What are the key properties of 1-(3,5-dimethylcyclohexyl)-1-(4-ethylphenyl)ethanamine?
1-(3,5-dimethylcyclohexyl)-1-(4-ethylphenyl)ethanamine has a molecular weight of 259.44 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylcyclohexyl)-1-(4-ethylphenyl)ethanamine is sourced from PubChem (CID 64728477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).