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

C19H33N — CID 115845513

IUPAC1-(2,5-dimethylphenyl)-4-methyl-N-propylheptan-2-amine
SMILESCCCNC(Cc1cc(C)ccc1C)CC(C)CCC
InChIInChI=1S/C19H33N/c1-6-8-15(3)13-19(20-11-7-2)14-18-12-16(4)9-10-17(18)5/h9-10,12,15,19-20H,6-8,11,13-14H2,1-5H3
InChIKeyDQDKCBWVXGYQOF-UHFFFAOYSA-N
MW275.48 g/mol
LogP5.04
Rot. Bonds9

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

1-(2,5-dimethylphenyl)-4-methyl-N-propylheptan-2-amine (PubChem CID 115845513) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-4-methyl-N-propylheptan-2-amine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-4-methyl-N-propylheptan-2-amine
PubChem CID115845513
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC Name1-(2,5-dimethylphenyl)-4-methyl-N-propylheptan-2-amine
SMILESCCCNC(Cc1cc(C)ccc1C)CC(C)CCC
InChIInChI=1S/C19H33N/c1-6-8-15(3)13-19(20-11-7-2)14-18-12-16(4)9-10-17(18)5/h9-10,12,15,19-20H,6-8,11,13-14H2,1-5H3
InChIKeyDQDKCBWVXGYQOF-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
1-(2,5-dimethylphenyl)-5-methylsulfonyl-N-propylpentan-2-amine
CID 115820693
1-(2,4-dimethylphenyl)-3-methyl-N-propylhexan-1-amine
CID 115845635
1-(2,5-dimethylphenyl)-N-propyl-4-thiophen-2-ylbutan-2-amine
CID 115860977
1-(4-bromophenyl)-4-methyl-N-propylheptan-2-amine
CID 55185468
1-(3-bromothiophen-2-yl)-3-(2,5-dimethylphenyl)-N-propylpropan-2-amine
CID 115849045
N-[1-cyclopropyl-2-(2,5-dimethylphenyl)ethyl]propan-1-amine
CID 61482130
1-(2,5-dimethylphenyl)-N-ethyl-3-propylhexan-2-amine
CID 82987222
3-methyl-1-(4-methylphenyl)-N-propylhexan-1-amine
CID 63412327
N-[2-(2,5-dimethylphenyl)-1-(3,5-dimethylthiophen-2-yl)ethyl]propan-1-amine
CID 81163554
1-(5-fluoro-2-methylphenyl)-N-propylbutan-2-amine
CID 105373717
4-(2,5-dimethylphenyl)-2,3-dimethyl-N-propylbutan-1-amine
CID 81016684

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-4-methyl-N-propylheptan-2-amine?
The IUPAC name of 1-(2,5-dimethylphenyl)-4-methyl-N-propylheptan-2-amine (CID 115845513) is 1-(2,5-dimethylphenyl)-4-methyl-N-propylheptan-2-amine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-4-methyl-N-propylheptan-2-amine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-4-methyl-N-propylheptan-2-amine is CCCNC(Cc1cc(C)ccc1C)CC(C)CCC.
What is the InChIKey of 1-(2,5-dimethylphenyl)-4-methyl-N-propylheptan-2-amine?
The InChIKey is DQDKCBWVXGYQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N/c1-6-8-15(3)13-19(20-11-7-2)14-18-12-16(4)9-10-17(18)5/h9-10,12,15,19-20H,6-8,11,13-14H2,1-5H3.
What are the key properties of 1-(2,5-dimethylphenyl)-4-methyl-N-propylheptan-2-amine?
1-(2,5-dimethylphenyl)-4-methyl-N-propylheptan-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)-4-methyl-N-propylheptan-2-amine is sourced from PubChem (CID 115845513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).