1-(2,5-dimethylphenyl)-N-methylpropan-1-amine

C12H19N — CID 43483756

IUPAC1-(2,5-dimethylphenyl)-N-methylpropan-1-amine
SMILESCCC(NC)c1cc(C)ccc1C
InChIInChI=1S/C12H19N/c1-5-12(13-4)11-8-9(2)6-7-10(11)3/h6-8,12-13H,5H2,1-4H3
InChIKeyJILZBUPHCGMJPN-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.97
Rot. Bonds3

About 1-(2,5-dimethylphenyl)-N-methylpropan-1-amine

1-(2,5-dimethylphenyl)-N-methylpropan-1-amine (PubChem CID 43483756) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-N-methylpropan-1-amine
PubChem CID43483756
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name1-(2,5-dimethylphenyl)-N-methylpropan-1-amine
SMILESCCC(NC)c1cc(C)ccc1C
InChIInChI=1S/C12H19N/c1-5-12(13-4)11-8-9(2)6-7-10(11)3/h6-8,12-13H,5H2,1-4H3
InChIKeyJILZBUPHCGMJPN-UHFFFAOYSA-N
XLogP2.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-(2,5-dimethylphenyl)-2-(methylamino)ethanol
CID 55276234
1-(2,5-dimethylphenyl)-N-ethylpropan-1-amine
CID 43490783
1-(2,5-dimethylphenyl)-N-methylpentan-1-amine
CID 43483753
3-(2,5-dimethylphenyl)-3-(methylamino)propan-1-ol
CID 64812187
1-(2,5-dimethylphenyl)-N-methyl-3-propoxypropan-1-amine
CID 105120142
1-(2,5-dimethylphenyl)-N'-ethyl-N'-(2-ethylbutyl)-N-methylethane-1,2-diamine
CID 63469586
1-(2,5-dimethylphenyl)-N-methyl-3-(4-methylphenyl)propan-1-amine
CID 105120019
2-(2,5-dimethylphenoxy)-1-(2,5-dimethylphenyl)-N-methylethanamine
CID 63476135
1-(2,5-dimethylphenyl)-N-methyl-2-propylsulfonylethanamine
CID 64644928
1-(2-bromo-4-methylphenyl)-N-methylpropan-1-amine
CID 114979523
1-[2-(2,5-dimethylphenyl)sulfanylphenyl]-N-methylpropan-1-amine
CID 115995797
1-(2,5-dimethylphenyl)-N'-(2-ethoxyethyl)-N'-ethyl-N-methylethane-1,2-diamine
CID 63697542

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-N-methylpropan-1-amine?
The IUPAC name of 1-(2,5-dimethylphenyl)-N-methylpropan-1-amine (CID 43483756) is 1-(2,5-dimethylphenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-N-methylpropan-1-amine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-N-methylpropan-1-amine is CCC(NC)c1cc(C)ccc1C.
What is the InChIKey of 1-(2,5-dimethylphenyl)-N-methylpropan-1-amine?
The InChIKey is JILZBUPHCGMJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-5-12(13-4)11-8-9(2)6-7-10(11)3/h6-8,12-13H,5H2,1-4H3.
What are the key properties of 1-(2,5-dimethylphenyl)-N-methylpropan-1-amine?
1-(2,5-dimethylphenyl)-N-methylpropan-1-amine has a molecular weight of 177.29 g/mol, XLogP of 2.97, 3 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-methylpropan-1-amine is sourced from PubChem (CID 43483756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).