1-(3,4-dimethylphenyl)-N-ethyl-3-propylhexan-2-amine

C19H33N — CID 82986935

IUPAC1-(3,4-dimethylphenyl)-N-ethyl-3-propylhexan-2-amine
SMILESCCCC(CCC)C(Cc1ccc(C)c(C)c1)NCC
InChIInChI=1S/C19H33N/c1-6-9-18(10-7-2)19(20-8-3)14-17-12-11-15(4)16(5)13-17/h11-13,18-20H,6-10,14H2,1-5H3
InChIKeyLGLFCRHNGQIEBA-UHFFFAOYSA-N
MW275.48 g/mol
LogP5.04
Rot. Bonds9

About 1-(3,4-dimethylphenyl)-N-ethyl-3-propylhexan-2-amine

1-(3,4-dimethylphenyl)-N-ethyl-3-propylhexan-2-amine (PubChem CID 82986935) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-N-ethyl-3-propylhexan-2-amine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-N-ethyl-3-propylhexan-2-amine
PubChem CID82986935
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC Name1-(3,4-dimethylphenyl)-N-ethyl-3-propylhexan-2-amine
SMILESCCCC(CCC)C(Cc1ccc(C)c(C)c1)NCC
InChIInChI=1S/C19H33N/c1-6-9-18(10-7-2)19(20-8-3)14-17-12-11-15(4)16(5)13-17/h11-13,18-20H,6-10,14H2,1-5H3
InChIKeyLGLFCRHNGQIEBA-UHFFFAOYSA-N
XLogP5.04
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 ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(3,4-dimethylphenyl)-3-propylhexan-2-yl]hydrazine
CID 105289972
1-(2,5-dimethylphenyl)-N-ethyl-3-propylhexan-2-amine
CID 82987222
1-(3,4-dimethylphenyl)-N-ethyl-3-methoxybutan-2-amine
CID 79616585
N-ethyl-1-(3-fluorophenyl)-3-propylhexan-2-amine
CID 82987589
1-(3,4-dimethylphenyl)-N-ethylhexan-2-amine
CID 62538478
1-(4-methylphenyl)-N,3-dipropylhexan-2-amine
CID 82987030
N-ethyl-1-(4-fluoro-2-methylphenyl)-3-propylhexan-2-amine
CID 105051215
1-(3,4-dimethylphenyl)-N-ethyloctan-2-amine
CID 63420104
[1-(3,4-dimethylphenyl)-3-methylpentan-2-yl]hydrazine
CID 105215198
1-(4-chloro-3-fluorophenyl)-N,3-dipropylhexan-2-amine
CID 107891790
1-(3,4-dimethylphenyl)-N-ethyl-6-methylheptan-2-amine
CID 83160928
2-[(3,4-dimethylphenyl)methyl]-N-propylpentan-1-amine
CID 63497107

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-N-ethyl-3-propylhexan-2-amine?
The IUPAC name of 1-(3,4-dimethylphenyl)-N-ethyl-3-propylhexan-2-amine (CID 82986935) is 1-(3,4-dimethylphenyl)-N-ethyl-3-propylhexan-2-amine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-N-ethyl-3-propylhexan-2-amine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-N-ethyl-3-propylhexan-2-amine is CCCC(CCC)C(Cc1ccc(C)c(C)c1)NCC.
What is the InChIKey of 1-(3,4-dimethylphenyl)-N-ethyl-3-propylhexan-2-amine?
The InChIKey is LGLFCRHNGQIEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N/c1-6-9-18(10-7-2)19(20-8-3)14-17-12-11-15(4)16(5)13-17/h11-13,18-20H,6-10,14H2,1-5H3.
What are the key properties of 1-(3,4-dimethylphenyl)-N-ethyl-3-propylhexan-2-amine?
1-(3,4-dimethylphenyl)-N-ethyl-3-propylhexan-2-amine has a molecular weight of 275.48 g/mol, XLogP of 5.04, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-N-ethyl-3-propylhexan-2-amine is sourced from PubChem (CID 82986935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).