1-(2,4-dimethylphenyl)-5-methyl-N-propylhexan-1-amine

C18H31N — CID 105028958

IUPAC1-(2,4-dimethylphenyl)-5-methyl-N-propylhexan-1-amine
SMILESCCCNC(CCCC(C)C)c1ccc(C)cc1C
InChIInChI=1S/C18H31N/c1-6-12-19-18(9-7-8-14(2)3)17-11-10-15(4)13-16(17)5/h10-11,13-14,18-19H,6-9,12H2,1-5H3
InChIKeyZUARZJVWMRNSNZ-UHFFFAOYSA-N
MW261.45 g/mol
LogP5.17
Rot. Bonds8

About 1-(2,4-dimethylphenyl)-5-methyl-N-propylhexan-1-amine

1-(2,4-dimethylphenyl)-5-methyl-N-propylhexan-1-amine (PubChem CID 105028958) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-5-methyl-N-propylhexan-1-amine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-5-methyl-N-propylhexan-1-amine
PubChem CID105028958
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC Name1-(2,4-dimethylphenyl)-5-methyl-N-propylhexan-1-amine
SMILESCCCNC(CCCC(C)C)c1ccc(C)cc1C
InChIInChI=1S/C18H31N/c1-6-12-19-18(9-7-8-14(2)3)17-11-10-15(4)13-16(17)5/h10-11,13-14,18-19H,6-9,12H2,1-5H3
InChIKeyZUARZJVWMRNSNZ-UHFFFAOYSA-N
XLogP5.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.45
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2,4-dimethylphenyl)-2-(3-methylbutoxy)ethyl]propan-1-amine
CID 63474013
1-(2,4-dimethylphenyl)-3-methyl-N-propylhexan-1-amine
CID 115845635
1-(5-chloro-2-methylphenyl)-5-methyl-N-propylhexan-1-amine
CID 105028577
5-methyl-1-(3-methyl-4-pyridinyl)-N-propylhexan-1-amine
CID 83161609
1-(2,4-dimethylphenyl)-3-methylsulfonyl-N-propylpropan-1-amine
CID 115848588
1-(2,4-dimethylphenyl)-N-propyl-4-thiophen-2-ylbutan-1-amine
CID 105145207
5-methyl-1-(3-methylphenyl)-N-propylhexan-1-amine
CID 83161664
1-(2-chloro-4-methylphenyl)-4-methyl-N-propylpentan-1-amine
CID 106857235
1-(2,4-dimethylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
CID 103031475
1-(2,4-dimethylphenyl)-N-propylbut-3-yn-1-amine
CID 114977787
1-(4-bromo-2-methylphenyl)-N-propylpentan-1-amine
CID 115832820
1-(2,4-dimethylphenyl)-N-methylundecan-1-amine
CID 115845807

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-5-methyl-N-propylhexan-1-amine?
The IUPAC name of 1-(2,4-dimethylphenyl)-5-methyl-N-propylhexan-1-amine (CID 105028958) is 1-(2,4-dimethylphenyl)-5-methyl-N-propylhexan-1-amine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-5-methyl-N-propylhexan-1-amine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-5-methyl-N-propylhexan-1-amine is CCCNC(CCCC(C)C)c1ccc(C)cc1C.
What is the InChIKey of 1-(2,4-dimethylphenyl)-5-methyl-N-propylhexan-1-amine?
The InChIKey is ZUARZJVWMRNSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-6-12-19-18(9-7-8-14(2)3)17-11-10-15(4)13-16(17)5/h10-11,13-14,18-19H,6-9,12H2,1-5H3.
What are the key properties of 1-(2,4-dimethylphenyl)-5-methyl-N-propylhexan-1-amine?
1-(2,4-dimethylphenyl)-5-methyl-N-propylhexan-1-amine has a molecular weight of 261.45 g/mol, XLogP of 5.17, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-5-methyl-N-propylhexan-1-amine is sourced from PubChem (CID 105028958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).