1-(3,4,5-trimethylphenyl)propan-2-amine

C12H19N — CID 23273678

IUPAC1-(3,4,5-trimethylphenyl)propan-2-amine
SMILESCc1cc(CC(C)N)cc(C)c1C
InChIInChI=1S/C12H19N/c1-8-5-12(7-10(3)13)6-9(2)11(8)4/h5-6,10H,7,13H2,1-4H3
InChIKeyWGKCHPRTEGVRHF-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.50
Rot. Bonds2

About 1-(3,4,5-trimethylphenyl)propan-2-amine

1-(3,4,5-trimethylphenyl)propan-2-amine (PubChem CID 23273678) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 1-(3,4,5-trimethylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(3,4,5-trimethylphenyl)propan-2-amine
PubChem CID23273678
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name1-(3,4,5-trimethylphenyl)propan-2-amine
SMILESCc1cc(CC(C)N)cc(C)c1C
InChIInChI=1S/C12H19N/c1-8-5-12(7-10(3)13)6-9(2)11(8)4/h5-6,10H,7,13H2,1-4H3
InChIKeyWGKCHPRTEGVRHF-UHFFFAOYSA-N
XLogP2.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 1-(3,4,5-trimethylphenyl)propan-2-amine?
The IUPAC name of 1-(3,4,5-trimethylphenyl)propan-2-amine (CID 23273678) is 1-(3,4,5-trimethylphenyl)propan-2-amine.
What is the SMILES notation for 1-(3,4,5-trimethylphenyl)propan-2-amine?
The canonical SMILES for 1-(3,4,5-trimethylphenyl)propan-2-amine is Cc1cc(CC(C)N)cc(C)c1C.
What is the InChIKey of 1-(3,4,5-trimethylphenyl)propan-2-amine?
The InChIKey is WGKCHPRTEGVRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-8-5-12(7-10(3)13)6-9(2)11(8)4/h5-6,10H,7,13H2,1-4H3.
What are the key properties of 1-(3,4,5-trimethylphenyl)propan-2-amine?
1-(3,4,5-trimethylphenyl)propan-2-amine has a molecular weight of 177.29 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4,5-trimethylphenyl)propan-2-amine is sourced from PubChem (CID 23273678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).