1-(2,3-dimethylphenyl)-N-propylpentan-1-amine

C16H27N — CID 79412672

IUPAC1-(2,3-dimethylphenyl)-N-propylpentan-1-amine
SMILESCCCCC(NCCC)c1cccc(C)c1C
InChIInChI=1S/C16H27N/c1-5-7-11-16(17-12-6-2)15-10-8-9-13(3)14(15)4/h8-10,16-17H,5-7,11-12H2,1-4H3
InChIKeyRFKNOAWTSHUKCC-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.53
Rot. Bonds7

About 1-(2,3-dimethylphenyl)-N-propylpentan-1-amine

1-(2,3-dimethylphenyl)-N-propylpentan-1-amine (PubChem CID 79412672) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-N-propylpentan-1-amine
PubChem CID79412672
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name1-(2,3-dimethylphenyl)-N-propylpentan-1-amine
SMILESCCCCC(NCCC)c1cccc(C)c1C
InChIInChI=1S/C16H27N/c1-5-7-11-16(17-12-6-2)15-10-8-9-13(3)14(15)4/h8-10,16-17H,5-7,11-12H2,1-4H3
InChIKeyRFKNOAWTSHUKCC-UHFFFAOYSA-N
XLogP4.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3-dimethylphenyl)-N-ethylhexan-1-amine
CID 115837078
1-(2,3-dimethylphenyl)-N-methylpentan-1-amine
CID 79405236
1-(2-bromo-3-methylphenyl)-N-propylhexan-1-amine
CID 114024195
1-(2,3-dimethylphenyl)-N-ethyloctan-1-amine
CID 115832026
1-(2-fluoro-3-methylphenyl)-N-propyloctan-1-amine
CID 115832334
1-(2,3-dimethylphenyl)-N',N'-dimethyl-N-propylethane-1,2-diamine
CID 79088664
1-(2,3-dimethylphenyl)-2-ethyl-N-propylhexan-1-amine
CID 115850316
1-(2,3-dimethylphenyl)-N-ethyl-5-methylhexan-1-amine
CID 105028600
1-(2,3-dimethylphenyl)heptylhydrazine
CID 105293889
1-(2-bromo-3-methylphenyl)-4-methoxy-N-propylbutan-1-amine
CID 107985503
1-(3-chloro-2-fluorophenyl)-N-propylpentan-1-amine
CID 64714891
1-(3-bromo-2-fluorophenyl)-N-propylpentan-1-amine
CID 106645856

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-N-propylpentan-1-amine?
The IUPAC name of 1-(2,3-dimethylphenyl)-N-propylpentan-1-amine (CID 79412672) is 1-(2,3-dimethylphenyl)-N-propylpentan-1-amine.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-N-propylpentan-1-amine?
The canonical SMILES for 1-(2,3-dimethylphenyl)-N-propylpentan-1-amine is CCCCC(NCCC)c1cccc(C)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-N-propylpentan-1-amine?
The InChIKey is RFKNOAWTSHUKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-5-7-11-16(17-12-6-2)15-10-8-9-13(3)14(15)4/h8-10,16-17H,5-7,11-12H2,1-4H3.
What are the key properties of 1-(2,3-dimethylphenyl)-N-propylpentan-1-amine?
1-(2,3-dimethylphenyl)-N-propylpentan-1-amine has a molecular weight of 233.40 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-N-propylpentan-1-amine is sourced from PubChem (CID 79412672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).