1-(2,3-dimethylphenyl)-2-ethyl-N-propylhexan-1-amine

C19H33N — CID 115850316

IUPAC1-(2,3-dimethylphenyl)-2-ethyl-N-propylhexan-1-amine
SMILESCCCCC(CC)C(NCCC)c1cccc(C)c1C
InChIInChI=1S/C19H33N/c1-6-9-12-17(8-3)19(20-14-7-2)18-13-10-11-15(4)16(18)5/h10-11,13,17,19-20H,6-9,12,14H2,1-5H3
InChIKeyCCTFJYONDMMZOD-UHFFFAOYSA-N
MW275.48 g/mol
LogP5.56
Rot. Bonds9

About 1-(2,3-dimethylphenyl)-2-ethyl-N-propylhexan-1-amine

1-(2,3-dimethylphenyl)-2-ethyl-N-propylhexan-1-amine (PubChem CID 115850316) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-2-ethyl-N-propylhexan-1-amine.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-2-ethyl-N-propylhexan-1-amine
PubChem CID115850316
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC Name1-(2,3-dimethylphenyl)-2-ethyl-N-propylhexan-1-amine
SMILESCCCCC(CC)C(NCCC)c1cccc(C)c1C
InChIInChI=1S/C19H33N/c1-6-9-12-17(8-3)19(20-14-7-2)18-13-10-11-15(4)16(18)5/h10-11,13,17,19-20H,6-9,12,14H2,1-5H3
InChIKeyCCTFJYONDMMZOD-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

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Related Compounds

1-(2,3-dimethylphenyl)-N-propylpentan-1-amine
CID 79412672
1-(2,4-dimethylphenyl)-2-ethyl-N-propylhexan-1-amine
CID 43495501
[2-ethyl-1-(2-methylphenyl)hexyl]hydrazine
CID 105286043
2-ethyl-1-(5-methylthiophen-2-yl)-N-propylhexan-1-amine
CID 43494115
2-ethyl-N-propyl-1-(3-propylphenyl)hexan-1-amine
CID 105050261
1-(5-chloro-2-methoxyphenyl)-2-ethyl-N-propylhexan-1-amine
CID 104546055
1-(2,3-dimethylphenyl)-N-methylpentan-1-amine
CID 79405236
N-[(3-chloro-2-methylphenyl)-(2,3-dimethylphenyl)methyl]propan-1-amine
CID 107102258
N,2-diethyl-1-(2-fluorophenyl)hexan-1-amine
CID 115827935
1-(2,3-difluorophenyl)-2-ethyl-N-propylbutan-1-amine
CID 115862073
1-(2,3-dimethylphenyl)-N-ethylhexan-1-amine
CID 115837078
2-ethyl-1-(2-fluoro-4-methoxyphenyl)-N-propylhexan-1-amine
CID 43561588

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-2-ethyl-N-propylhexan-1-amine?
The IUPAC name of 1-(2,3-dimethylphenyl)-2-ethyl-N-propylhexan-1-amine (CID 115850316) is 1-(2,3-dimethylphenyl)-2-ethyl-N-propylhexan-1-amine.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-2-ethyl-N-propylhexan-1-amine?
The canonical SMILES for 1-(2,3-dimethylphenyl)-2-ethyl-N-propylhexan-1-amine is CCCCC(CC)C(NCCC)c1cccc(C)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-2-ethyl-N-propylhexan-1-amine?
The InChIKey is CCTFJYONDMMZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N/c1-6-9-12-17(8-3)19(20-14-7-2)18-13-10-11-15(4)16(18)5/h10-11,13,17,19-20H,6-9,12,14H2,1-5H3.
What are the key properties of 1-(2,3-dimethylphenyl)-2-ethyl-N-propylhexan-1-amine?
1-(2,3-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-(2,3-dimethylphenyl)-2-ethyl-N-propylhexan-1-amine is sourced from PubChem (CID 115850316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).