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

C18H31N — CID 115845635

IUPAC1-(2,4-dimethylphenyl)-3-methyl-N-propylhexan-1-amine
SMILESCCCNC(CC(C)CCC)c1ccc(C)cc1C
InChIInChI=1S/C18H31N/c1-6-8-14(3)13-18(19-11-7-2)17-10-9-15(4)12-16(17)5/h9-10,12,14,18-19H,6-8,11,13H2,1-5H3
InChIKeyQZZSJKZJJPEWPS-UHFFFAOYSA-N
MW261.45 g/mol
LogP5.17
Rot. Bonds8

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

1-(2,4-dimethylphenyl)-3-methyl-N-propylhexan-1-amine (PubChem CID 115845635) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-3-methyl-N-propylhexan-1-amine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-3-methyl-N-propylhexan-1-amine
PubChem CID115845635
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC Name1-(2,4-dimethylphenyl)-3-methyl-N-propylhexan-1-amine
SMILESCCCNC(CC(C)CCC)c1ccc(C)cc1C
InChIInChI=1S/C18H31N/c1-6-8-14(3)13-18(19-11-7-2)17-10-9-15(4)12-16(17)5/h9-10,12,14,18-19H,6-8,11,13H2,1-5H3
InChIKeyQZZSJKZJJPEWPS-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

3-methyl-1-(2-methylphenyl)-N-propylhexan-1-amine
CID 63413299
3-methyl-N-propyl-1-(2,4,6-trimethylphenyl)hexan-1-amine
CID 115845570
1-(2,4-dimethylphenyl)-5-methyl-N-propylhexan-1-amine
CID 105028958
3-methyl-1-(4-methylphenyl)-N-propylhexan-1-amine
CID 63412327
1-(2,6-dimethyl-3-pyridinyl)-3-methyl-N-propylhexan-1-amine
CID 105137878
N-[2-tert-butylsulfinyl-1-(2,4-dimethylphenyl)ethyl]propan-1-amine
CID 64651316
1-(2-bromo-4-methylphenyl)-N-ethyl-3-methylhexan-1-amine
CID 115845391
1-(2,4-dimethylphenyl)-3-methylhexan-1-amine
CID 115845282
N-[2-butan-2-ylsulfinyl-1-(2,4-dimethylphenyl)ethyl]propan-1-amine
CID 64651695
N-[1-(2,4-dimethylphenyl)-2-(3-methylbutan-2-ylsulfinyl)ethyl]propan-1-amine
CID 107759461
N-[1-(2,4-dimethylphenyl)-2-(3-methylbutoxy)ethyl]propan-1-amine
CID 63474013
1-(2,4-dimethylphenyl)-N-propylbut-3-yn-1-amine
CID 114977787

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-3-methyl-N-propylhexan-1-amine?
The IUPAC name of 1-(2,4-dimethylphenyl)-3-methyl-N-propylhexan-1-amine (CID 115845635) is 1-(2,4-dimethylphenyl)-3-methyl-N-propylhexan-1-amine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-3-methyl-N-propylhexan-1-amine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-3-methyl-N-propylhexan-1-amine is CCCNC(CC(C)CCC)c1ccc(C)cc1C.
What is the InChIKey of 1-(2,4-dimethylphenyl)-3-methyl-N-propylhexan-1-amine?
The InChIKey is QZZSJKZJJPEWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-6-8-14(3)13-18(19-11-7-2)17-10-9-15(4)12-16(17)5/h9-10,12,14,18-19H,6-8,11,13H2,1-5H3.
What are the key properties of 1-(2,4-dimethylphenyl)-3-methyl-N-propylhexan-1-amine?
1-(2,4-dimethylphenyl)-3-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)-3-methyl-N-propylhexan-1-amine is sourced from PubChem (CID 115845635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).