1-(2,5-dimethylphenyl)-N-ethyl-3-propylhexan-2-amine

C19H33N — CID 82987222

IUPAC1-(2,5-dimethylphenyl)-N-ethyl-3-propylhexan-2-amine
SMILESCCCC(CCC)C(Cc1cc(C)ccc1C)NCC
InChIInChI=1S/C19H33N/c1-6-9-17(10-7-2)19(20-8-3)14-18-13-15(4)11-12-16(18)5/h11-13,17,19-20H,6-10,14H2,1-5H3
InChIKeyLXHMQGVXZNXTBR-UHFFFAOYSA-N
MW275.48 g/mol
LogP5.04
Rot. Bonds9

About 1-(2,5-dimethylphenyl)-N-ethyl-3-propylhexan-2-amine

1-(2,5-dimethylphenyl)-N-ethyl-3-propylhexan-2-amine (PubChem CID 82987222) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-N-ethyl-3-propylhexan-2-amine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-N-ethyl-3-propylhexan-2-amine
PubChem CID82987222
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC Name1-(2,5-dimethylphenyl)-N-ethyl-3-propylhexan-2-amine
SMILESCCCC(CCC)C(Cc1cc(C)ccc1C)NCC
InChIInChI=1S/C19H33N/c1-6-9-17(10-7-2)19(20-8-3)14-18-13-15(4)11-12-16(18)5/h11-13,17,19-20H,6-10,14H2,1-5H3
InChIKeyLXHMQGVXZNXTBR-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-(2,5-dimethylphenyl)-N-ethylpentan-2-amine
CID 61482090
N-ethyl-1-(4-fluoro-2-methylphenyl)-3-propylhexan-2-amine
CID 105051215
3-(2,5-dimethylphenyl)-1,1-diethoxy-N-ethylpropan-2-amine
CID 79495019
1-(3,4-dimethylphenyl)-N-ethyl-3-propylhexan-2-amine
CID 82986935
1-(4-methylphenyl)-N,3-dipropylhexan-2-amine
CID 82987030
1-(2-chloro-4-methylphenyl)-N-ethyl-3-methylhexan-2-amine
CID 106866972
1-(2,5-dimethylphenyl)-4-methyl-N-propylheptan-2-amine
CID 115845513
1-(2,5-dimethylphenyl)-N-ethyl-5-methoxypentan-2-amine
CID 65092524
1-(2,5-dimethylphenyl)-N-ethyl-3-phenylpropan-2-amine
CID 61482245
2-(2,5-dimethylphenyl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine
CID 105101017
2-[1-(2,5-dimethylphenyl)propan-2-yl]propane-1,3-diamine
CID 83928106
1-(2,5-dimethylphenyl)-N-ethyl-4-pyridin-4-ylbutan-2-amine
CID 105101158

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-N-ethyl-3-propylhexan-2-amine?
The IUPAC name of 1-(2,5-dimethylphenyl)-N-ethyl-3-propylhexan-2-amine (CID 82987222) is 1-(2,5-dimethylphenyl)-N-ethyl-3-propylhexan-2-amine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-N-ethyl-3-propylhexan-2-amine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-N-ethyl-3-propylhexan-2-amine is CCCC(CCC)C(Cc1cc(C)ccc1C)NCC.
What is the InChIKey of 1-(2,5-dimethylphenyl)-N-ethyl-3-propylhexan-2-amine?
The InChIKey is LXHMQGVXZNXTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N/c1-6-9-17(10-7-2)19(20-8-3)14-18-13-15(4)11-12-16(18)5/h11-13,17,19-20H,6-10,14H2,1-5H3.
What are the key properties of 1-(2,5-dimethylphenyl)-N-ethyl-3-propylhexan-2-amine?
1-(2,5-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-(2,5-dimethylphenyl)-N-ethyl-3-propylhexan-2-amine is sourced from PubChem (CID 82987222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).