1-(2,4-dimethylphenyl)-2-ethyl-N-propylhexan-1-amine

C19H33N — CID 43495501

IUPAC1-(2,4-dimethylphenyl)-2-ethyl-N-propylhexan-1-amine
SMILESCCCCC(CC)C(NCCC)c1ccc(C)cc1C
InChIInChI=1S/C19H33N/c1-6-9-10-17(8-3)19(20-13-7-2)18-12-11-15(4)14-16(18)5/h11-12,14,17,19-20H,6-10,13H2,1-5H3
InChIKeyZIRBZZXPIRLOKV-UHFFFAOYSA-N
MW275.48 g/mol
LogP5.56
Rot. Bonds9

About 1-(2,4-dimethylphenyl)-2-ethyl-N-propylhexan-1-amine

1-(2,4-dimethylphenyl)-2-ethyl-N-propylhexan-1-amine (PubChem CID 43495501) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-2-ethyl-N-propylhexan-1-amine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-2-ethyl-N-propylhexan-1-amine
PubChem CID43495501
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC Name1-(2,4-dimethylphenyl)-2-ethyl-N-propylhexan-1-amine
SMILESCCCCC(CC)C(NCCC)c1ccc(C)cc1C
InChIInChI=1S/C19H33N/c1-6-9-10-17(8-3)19(20-13-7-2)18-12-11-15(4)14-16(18)5/h11-12,14,17,19-20H,6-10,13H2,1-5H3
InChIKeyZIRBZZXPIRLOKV-UHFFFAOYSA-N
XLogP5.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.48
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2,4-dimethylphenyl)-2-ethyl-N-propylhexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,3-dimethylphenyl)-2-ethyl-N-propylhexan-1-amine
CID 115850316
2-ethyl-1-(2-fluoro-4-methoxyphenyl)-N-propylhexan-1-amine
CID 43561588
N,2-diethyl-1-(2,4,6-trimethylphenyl)hexan-1-amine
CID 43491112
1-(2,4-dimethylphenyl)-5-methyl-N-propylhexan-1-amine
CID 105028958
1-(2,4-dimethylphenyl)-3-methyl-N-propylhexan-1-amine
CID 115845635
2-ethyl-1-(5-methylthiophen-2-yl)-N-propylhexan-1-amine
CID 43494115
1-(5-chloro-2-methoxyphenyl)-2-ethyl-N-propylhexan-1-amine
CID 104546055
1-(4-methoxy-2-methylphenyl)-N,2-dipropylpentan-1-amine
CID 82984646
1-(1-chloropentyl)-2,4-dimethylbenzene
CID 63430265
2,4-dimethyl-1-undecan-5-ylbenzene
CID 123380808
2-(2,4-dimethylphenyl)-2-(propylamino)acetonitrile
CID 43115225
1-(2,4-difluorophenyl)-N,2-diethylhexan-1-amine
CID 43491010

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-2-ethyl-N-propylhexan-1-amine?
The IUPAC name of 1-(2,4-dimethylphenyl)-2-ethyl-N-propylhexan-1-amine (CID 43495501) is 1-(2,4-dimethylphenyl)-2-ethyl-N-propylhexan-1-amine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-2-ethyl-N-propylhexan-1-amine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-2-ethyl-N-propylhexan-1-amine is CCCCC(CC)C(NCCC)c1ccc(C)cc1C.
What is the InChIKey of 1-(2,4-dimethylphenyl)-2-ethyl-N-propylhexan-1-amine?
The InChIKey is ZIRBZZXPIRLOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N/c1-6-9-10-17(8-3)19(20-13-7-2)18-12-11-15(4)14-16(18)5/h11-12,14,17,19-20H,6-10,13H2,1-5H3.
What are the key properties of 1-(2,4-dimethylphenyl)-2-ethyl-N-propylhexan-1-amine?
1-(2,4-dimethylphenyl)-2-ethyl-N-propylhexan-1-amine has a molecular weight of 275.48 g/mol, XLogP of 5.56, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-2-ethyl-N-propylhexan-1-amine is sourced from PubChem (CID 43495501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).