2-ethyl-N-methyl-1-(4-methylcyclohexyl)-2-phenylbutan-1-amine

C20H33N — CID 64774837

IUPAC2-ethyl-N-methyl-1-(4-methylcyclohexyl)-2-phenylbutan-1-amine
SMILESCCC(CC)(c1ccccc1)C(NC)C1CCC(C)CC1
InChIInChI=1S/C20H33N/c1-5-20(6-2,18-10-8-7-9-11-18)19(21-4)17-14-12-16(3)13-15-17/h7-11,16-17,19,21H,5-6,12-15H2,1-4H3
InChIKeyAWCYMRZOZNURQY-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.16
Rot. Bonds6

About 2-ethyl-N-methyl-1-(4-methylcyclohexyl)-2-phenylbutan-1-amine

2-ethyl-N-methyl-1-(4-methylcyclohexyl)-2-phenylbutan-1-amine (PubChem CID 64774837) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is 2-ethyl-N-methyl-1-(4-methylcyclohexyl)-2-phenylbutan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-methyl-1-(4-methylcyclohexyl)-2-phenylbutan-1-amine
PubChem CID64774837
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC Name2-ethyl-N-methyl-1-(4-methylcyclohexyl)-2-phenylbutan-1-amine
SMILESCCC(CC)(c1ccccc1)C(NC)C1CCC(C)CC1
InChIInChI=1S/C20H33N/c1-5-20(6-2,18-10-8-7-9-11-18)19(21-4)17-14-12-16(3)13-15-17/h7-11,16-17,19,21H,5-6,12-15H2,1-4H3
InChIKeyAWCYMRZOZNURQY-UHFFFAOYSA-N
XLogP5.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclohexyl-N,2-diethyl-2-phenylbutan-1-amine
CID 63417640
[2-ethyl-1-(oxolan-3-yl)-2-phenylbutyl]hydrazine
CID 105217689
1-cyclopropyl-N,3-diethyl-3-phenylpentan-2-amine
CID 64903846
1-cyclopentyl-2-methyl-2-phenyl-N-propylpropan-1-amine
CID 55187961
1-cyclohexyl-2-ethyl-2-phenylbutan-1-amine
CID 63418081
N-(2-ethyl-3-methyl-2-phenylhexyl)cyclopropanamine
CID 107897391
N-methyl-1-(4-methylcyclohexyl)-2-phenylsulfanylethanamine
CID 65143188
2-methoxy-N-methyl-1-(4-methylcyclohexyl)-2-phenylethanamine
CID 116772639
[[3-iodo-1-(4-methylcyclohexyl)prop-2-enoxy]-diphenylmethyl]benzene
CID 54522785
(2S)-3-ethyl-3-phenylpentan-2-amine
CID 64712581
3-ethyl-1-(5-ethylthiophen-2-yl)-3-phenylpentan-2-amine
CID 63417545
3-ethyl-3-phenyltricosan-4-amine
CID 21316172

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methyl-1-(4-methylcyclohexyl)-2-phenylbutan-1-amine?
The IUPAC name of 2-ethyl-N-methyl-1-(4-methylcyclohexyl)-2-phenylbutan-1-amine (CID 64774837) is 2-ethyl-N-methyl-1-(4-methylcyclohexyl)-2-phenylbutan-1-amine.
What is the SMILES notation for 2-ethyl-N-methyl-1-(4-methylcyclohexyl)-2-phenylbutan-1-amine?
The canonical SMILES for 2-ethyl-N-methyl-1-(4-methylcyclohexyl)-2-phenylbutan-1-amine is CCC(CC)(c1ccccc1)C(NC)C1CCC(C)CC1.
What is the InChIKey of 2-ethyl-N-methyl-1-(4-methylcyclohexyl)-2-phenylbutan-1-amine?
The InChIKey is AWCYMRZOZNURQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-5-20(6-2,18-10-8-7-9-11-18)19(21-4)17-14-12-16(3)13-15-17/h7-11,16-17,19,21H,5-6,12-15H2,1-4H3.
What are the key properties of 2-ethyl-N-methyl-1-(4-methylcyclohexyl)-2-phenylbutan-1-amine?
2-ethyl-N-methyl-1-(4-methylcyclohexyl)-2-phenylbutan-1-amine has a molecular weight of 287.49 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methyl-1-(4-methylcyclohexyl)-2-phenylbutan-1-amine is sourced from PubChem (CID 64774837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).