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

C12H19N — CID 117277671

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

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

1-(2,3,5-trimethylphenyl)propan-2-amine (PubChem CID 117277671) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 1-(2,3,5-trimethylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(2,3,5-trimethylphenyl)propan-2-amine
PubChem CID117277671
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name1-(2,3,5-trimethylphenyl)propan-2-amine
SMILESCc1cc(C)c(C)c(CC(C)N)c1
InChIInChI=1S/C12H19N/c1-8-5-9(2)11(4)12(6-8)7-10(3)13/h5-6,10H,7,13H2,1-4H3
InChIKeyOUSJUNDNZLHHLY-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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Related Compounds

1-(2,3-dimethyl-5-methylsulfanylphenyl)propan-2-amine
CID 117299560
1-(2,4-dimethylphenyl)propan-2-amine
CID 541870
1,2,5-trimethyl-3-(3-methylbutyl)benzene
CID 584289
3-(2-aminopropyl)-2-chloro-5-methylphenol
CID 117288920
1-(4-methoxy-2,3,5-trimethylphenyl)propan-2-amine
CID 13209710
2-(2-aminopropyl)-6-[(dimethylamino)methyl]-4-methylphenol
CID 117318763
2-(2-aminopropyl)-6-tert-butyl-4-methylphenol
CID 117317029
3-(2,3,5-trimethylphenyl)propan-1-amine
CID 117277650
1-(4,5-dimethoxy-2,3-dimethylphenyl)propan-2-amine
CID 117320597
1-(5-iodo-2-methylphenyl)propan-2-amine
CID 130041396
1-(3-bromo-4,5-dimethylphenyl)propan-2-amine
CID 117356903
(2S)-1-(2-bromo-4-methylphenyl)propan-2-amine
CID 131058214

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,5-trimethylphenyl)propan-2-amine?
The IUPAC name of 1-(2,3,5-trimethylphenyl)propan-2-amine (CID 117277671) is 1-(2,3,5-trimethylphenyl)propan-2-amine.
What is the SMILES notation for 1-(2,3,5-trimethylphenyl)propan-2-amine?
The canonical SMILES for 1-(2,3,5-trimethylphenyl)propan-2-amine is Cc1cc(C)c(C)c(CC(C)N)c1.
What is the InChIKey of 1-(2,3,5-trimethylphenyl)propan-2-amine?
The InChIKey is OUSJUNDNZLHHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-8-5-9(2)11(4)12(6-8)7-10(3)13/h5-6,10H,7,13H2,1-4H3.
What are the key properties of 1-(2,3,5-trimethylphenyl)propan-2-amine?
1-(2,3,5-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-(2,3,5-trimethylphenyl)propan-2-amine is sourced from PubChem (CID 117277671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).