3-(2,3,5-trimethylphenyl)propan-1-amine

C12H19N — CID 117277650

IUPAC3-(2,3,5-trimethylphenyl)propan-1-amine
SMILESCc1cc(C)c(C)c(CCCN)c1
InChIInChI=1S/C12H19N/c1-9-7-10(2)11(3)12(8-9)5-4-6-13/h7-8H,4-6,13H2,1-3H3
InChIKeyJLRHKACGLOUQBG-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.50
Rot. Bonds3

About 3-(2,3,5-trimethylphenyl)propan-1-amine

3-(2,3,5-trimethylphenyl)propan-1-amine (PubChem CID 117277650) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 3-(2,3,5-trimethylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(2,3,5-trimethylphenyl)propan-1-amine
PubChem CID117277650
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name3-(2,3,5-trimethylphenyl)propan-1-amine
SMILESCc1cc(C)c(C)c(CCCN)c1
InChIInChI=1S/C12H19N/c1-9-7-10(2)11(3)12(8-9)5-4-6-13/h7-8H,4-6,13H2,1-3H3
InChIKeyJLRHKACGLOUQBG-UHFFFAOYSA-N
XLogP2.50
TPSA26.02 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 ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-heptyl-2,3,5-trimethylbenzene
CID 90943000
1-hex-5-ynyl-2,3,5-trimethylbenzene
CID 91149664
4-(2-methoxy-3,5-dimethylphenyl)butan-1-amine
CID 82255348
4-(2,4,6-trimethylphenyl)butan-1-amine
CID 19966399
1,2,5-trimethyl-3-(3-methylbutyl)benzene
CID 584289
3-(2-ethyl-5-methylphenyl)propan-1-amine
CID 117277653
3-(6-methyl-1,3-benzodioxol-4-yl)propan-1-amine
CID 117283708
12-(2,4-dimethylphenyl)dodecan-1-amine
CID 70565754
4-(2,3-difluoro-5-methylphenyl)butan-1-amine
CID 117288646
3-(5,7-dimethyl-1H-indol-2-yl)propan-1-amine
CID 83859576
4-(2,3,5,6-tetramethylphenyl)butan-1-amine
CID 65300958
1-(2,3,5-trimethylphenyl)propan-2-amine
CID 117277671

Frequently Asked Questions

What is the IUPAC name of 3-(2,3,5-trimethylphenyl)propan-1-amine?
The IUPAC name of 3-(2,3,5-trimethylphenyl)propan-1-amine (CID 117277650) is 3-(2,3,5-trimethylphenyl)propan-1-amine.
What is the SMILES notation for 3-(2,3,5-trimethylphenyl)propan-1-amine?
The canonical SMILES for 3-(2,3,5-trimethylphenyl)propan-1-amine is Cc1cc(C)c(C)c(CCCN)c1.
What is the InChIKey of 3-(2,3,5-trimethylphenyl)propan-1-amine?
The InChIKey is JLRHKACGLOUQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-9-7-10(2)11(3)12(8-9)5-4-6-13/h7-8H,4-6,13H2,1-3H3.
What are the key properties of 3-(2,3,5-trimethylphenyl)propan-1-amine?
3-(2,3,5-trimethylphenyl)propan-1-amine has a molecular weight of 177.29 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,5-trimethylphenyl)propan-1-amine is sourced from PubChem (CID 117277650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).