N-ethyl-1-(2-ethylcyclohexyl)-2-phenylbutan-1-amine

C20H33N — CID 115862425

IUPACN-ethyl-1-(2-ethylcyclohexyl)-2-phenylbutan-1-amine
SMILESCCNC(C(CC)c1ccccc1)C1CCCCC1CC
InChIInChI=1S/C20H33N/c1-4-16-12-10-11-15-19(16)20(21-6-3)18(5-2)17-13-8-7-9-14-17/h7-9,13-14,16,18-21H,4-6,10-12,15H2,1-3H3
InChIKeyIEXVFJUQALKTDX-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.37
Rot. Bonds7

About N-ethyl-1-(2-ethylcyclohexyl)-2-phenylbutan-1-amine

N-ethyl-1-(2-ethylcyclohexyl)-2-phenylbutan-1-amine (PubChem CID 115862425) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is N-ethyl-1-(2-ethylcyclohexyl)-2-phenylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-ethylcyclohexyl)-2-phenylbutan-1-amine
PubChem CID115862425
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC NameN-ethyl-1-(2-ethylcyclohexyl)-2-phenylbutan-1-amine
SMILESCCNC(C(CC)c1ccccc1)C1CCCCC1CC
InChIInChI=1S/C20H33N/c1-4-16-12-10-11-15-19(16)20(21-6-3)18(5-2)17-13-8-7-9-14-17/h7-9,13-14,16,18-21H,4-6,10-12,15H2,1-3H3
InChIKeyIEXVFJUQALKTDX-UHFFFAOYSA-N
XLogP5.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclobutyl-N-ethyl-2-phenylbutan-1-amine
CID 105049307
(1-cyclobutyl-2-phenylbutyl)hydrazine
CID 105340158
N-[(2-ethylcyclohexyl)-(1-phenylcyclopropyl)methyl]ethanamine
CID 63862736
N-ethyl-1-(2-ethylcyclohexyl)-2-phenoxyethanamine
CID 63862380
N-[(2-chlorophenyl)-(2-ethylcyclohexyl)methyl]ethanamine
CID 63863652
3-[ethylamino-(2-ethylcyclohexyl)methyl]-N,N-dimethylaniline
CID 105151275
N-[1-benzofuran-2-yl-(2-ethylcyclohexyl)methyl]ethanamine
CID 63863656
1-(2-ethylcyclohexyl)-2-phenylethanamine
CID 63862721
1-cyclohexyl-N-ethyl-2-methoxy-2-phenylethanamine
CID 116773025
[1-(3-ethylcyclohexyl)-2-phenylbutyl]hydrazine
CID 105313742
cis-(1S,2S)-2-ethyl-N-[(1S)-1-phenylethyl]cyclohexan-1-amine
CID 58193955
2-(2-ethylcyclohexyl)-1-phenylethanamine
CID 81013913

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-ethylcyclohexyl)-2-phenylbutan-1-amine?
The IUPAC name of N-ethyl-1-(2-ethylcyclohexyl)-2-phenylbutan-1-amine (CID 115862425) is N-ethyl-1-(2-ethylcyclohexyl)-2-phenylbutan-1-amine.
What is the SMILES notation for N-ethyl-1-(2-ethylcyclohexyl)-2-phenylbutan-1-amine?
The canonical SMILES for N-ethyl-1-(2-ethylcyclohexyl)-2-phenylbutan-1-amine is CCNC(C(CC)c1ccccc1)C1CCCCC1CC.
What is the InChIKey of N-ethyl-1-(2-ethylcyclohexyl)-2-phenylbutan-1-amine?
The InChIKey is IEXVFJUQALKTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-4-16-12-10-11-15-19(16)20(21-6-3)18(5-2)17-13-8-7-9-14-17/h7-9,13-14,16,18-21H,4-6,10-12,15H2,1-3H3.
What are the key properties of N-ethyl-1-(2-ethylcyclohexyl)-2-phenylbutan-1-amine?
N-ethyl-1-(2-ethylcyclohexyl)-2-phenylbutan-1-amine has a molecular weight of 287.49 g/mol, XLogP of 5.37, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-ethylcyclohexyl)-2-phenylbutan-1-amine is sourced from PubChem (CID 115862425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).