2-[(3,5-dimethylphenyl)methyl]-4-ethyl-N-propylcyclohexan-1-amine

C20H33N — CID 63403450

IUPAC2-[(3,5-dimethylphenyl)methyl]-4-ethyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(CC)CC1Cc1cc(C)cc(C)c1
InChIInChI=1S/C20H33N/c1-5-9-21-20-8-7-17(6-2)13-19(20)14-18-11-15(3)10-16(4)12-18/h10-12,17,19-21H,5-9,13-14H2,1-4H3
InChIKeyIMMWXYFQLKTYGN-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.04
Rot. Bonds6

About 2-[(3,5-dimethylphenyl)methyl]-4-ethyl-N-propylcyclohexan-1-amine

2-[(3,5-dimethylphenyl)methyl]-4-ethyl-N-propylcyclohexan-1-amine (PubChem CID 63403450) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is 2-[(3,5-dimethylphenyl)methyl]-4-ethyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(3,5-dimethylphenyl)methyl]-4-ethyl-N-propylcyclohexan-1-amine
PubChem CID63403450
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC Name2-[(3,5-dimethylphenyl)methyl]-4-ethyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(CC)CC1Cc1cc(C)cc(C)c1
InChIInChI=1S/C20H33N/c1-5-9-21-20-8-7-17(6-2)13-19(20)14-18-11-15(3)10-16(4)12-18/h10-12,17,19-21H,5-9,13-14H2,1-4H3
InChIKeyIMMWXYFQLKTYGN-UHFFFAOYSA-N
XLogP5.04
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 ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(5-chloro-2-fluorophenyl)methyl]-4-ethyl-N-propylcyclohexan-1-amine
CID 103047226
4-ethyl-N-methyl-2-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine
CID 63403275
2-(3,3-dimethylbutyl)-4-ethyl-N-propylcyclohexan-1-amine
CID 63403718
N-[[2-[(3,5-dimethylphenyl)methyl]cyclobutyl]methyl]propan-1-amine
CID 81018355
1-[2-[(3,5-dimethylphenyl)methyl]-4-propylcyclohexyl]-N-methylmethanamine
CID 81033230
4-ethyl-2-[[ethyl(propyl)amino]methyl]-N-propylcyclohexan-1-amine
CID 63483081
2-[(4-methylphenyl)methyl]-N-propylcyclohexan-1-amine
CID 55185583
4-ethyl-2-(4-methoxybutyl)-N-propylcyclohexan-1-amine
CID 113436996
2-[[cyclopropyl(propyl)amino]methyl]-4-ethyl-N-propylcyclohexan-1-amine
CID 63484004
2-[(3-fluorophenyl)methyl]-4-methyl-N-propylcyclohexan-1-amine
CID 63403748
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-4-ethyl-N-propylcyclohexan-1-amine
CID 115561892
2-methyl-3-[(4-methylphenyl)methyl]-N-propylcyclopentan-1-amine
CID 64909011

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethylphenyl)methyl]-4-ethyl-N-propylcyclohexan-1-amine?
The IUPAC name of 2-[(3,5-dimethylphenyl)methyl]-4-ethyl-N-propylcyclohexan-1-amine (CID 63403450) is 2-[(3,5-dimethylphenyl)methyl]-4-ethyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-[(3,5-dimethylphenyl)methyl]-4-ethyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-[(3,5-dimethylphenyl)methyl]-4-ethyl-N-propylcyclohexan-1-amine is CCCNC1CCC(CC)CC1Cc1cc(C)cc(C)c1.
What is the InChIKey of 2-[(3,5-dimethylphenyl)methyl]-4-ethyl-N-propylcyclohexan-1-amine?
The InChIKey is IMMWXYFQLKTYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-5-9-21-20-8-7-17(6-2)13-19(20)14-18-11-15(3)10-16(4)12-18/h10-12,17,19-21H,5-9,13-14H2,1-4H3.
What are the key properties of 2-[(3,5-dimethylphenyl)methyl]-4-ethyl-N-propylcyclohexan-1-amine?
2-[(3,5-dimethylphenyl)methyl]-4-ethyl-N-propylcyclohexan-1-amine has a molecular weight of 287.49 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethylphenyl)methyl]-4-ethyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 63403450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).