3-N-(2,4,5-trimethylphenyl)propane-1,2,3-triamine

C12H21N3 — CID 115119407

IUPAC3-N-(2,4,5-trimethylphenyl)propane-1,2,3-triamine
SMILESCc1cc(C)c(NCC(N)CN)cc1C
InChIInChI=1S/C12H21N3/c1-8-4-10(3)12(5-9(8)2)15-7-11(14)6-13/h4-5,11,15H,6-7,13-14H2,1-3H3
InChIKeyZHZAYAASFLROQS-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.31
Rot. Bonds4

About 3-N-(2,4,5-trimethylphenyl)propane-1,2,3-triamine

3-N-(2,4,5-trimethylphenyl)propane-1,2,3-triamine (PubChem CID 115119407) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-N-(2,4,5-trimethylphenyl)propane-1,2,3-triamine.

Molecular Properties

Compound Name3-N-(2,4,5-trimethylphenyl)propane-1,2,3-triamine
PubChem CID115119407
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name3-N-(2,4,5-trimethylphenyl)propane-1,2,3-triamine
SMILESCc1cc(C)c(NCC(N)CN)cc1C
InChIInChI=1S/C12H21N3/c1-8-4-10(3)12(5-9(8)2)15-7-11(14)6-13/h4-5,11,15H,6-7,13-14H2,1-3H3
InChIKeyZHZAYAASFLROQS-UHFFFAOYSA-N
XLogP1.31
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-(4-methoxy-2,5-dimethylphenyl)propane-1,2,3-triamine
CID 115119373
2-methyl-N-(2,4,5-trimethylphenyl)butane-1,4-diamine
CID 115202328
1-N-(4-methoxy-2,5-dimethylphenyl)propane-1,2-diamine
CID 115196260
3-methyl-2-[(2,4,5-trimethylanilino)methyl]butanenitrile
CID 115254260
3-N-(2,4-difluorophenyl)propane-1,2,3-triamine
CID 115119393
3-amino-4-(4,5-dimethoxy-2-methylanilino)butanoic acid
CID 115241480
2,4,5-trimethyl-N-(2,4,5-trimethylphenyl)aniline
CID 152754160
2-ethyl-N'-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propane-1,3-diamine
CID 115251203
1-N-(2-methylphenyl)butane-1,2-diamine
CID 19374458
3-N-(3-ethyl-4-methoxyphenyl)propane-1,2,3-triamine
CID 115119386
ethyl 2-(2,4,5-trimethylanilino)acetate
CID 115257207
1-N-(4-tert-butyl-2-methylphenyl)propane-1,2-diamine
CID 115196315

Frequently Asked Questions

What is the IUPAC name of 3-N-(2,4,5-trimethylphenyl)propane-1,2,3-triamine?
The IUPAC name of 3-N-(2,4,5-trimethylphenyl)propane-1,2,3-triamine (CID 115119407) is 3-N-(2,4,5-trimethylphenyl)propane-1,2,3-triamine.
What is the SMILES notation for 3-N-(2,4,5-trimethylphenyl)propane-1,2,3-triamine?
The canonical SMILES for 3-N-(2,4,5-trimethylphenyl)propane-1,2,3-triamine is Cc1cc(C)c(NCC(N)CN)cc1C.
What is the InChIKey of 3-N-(2,4,5-trimethylphenyl)propane-1,2,3-triamine?
The InChIKey is ZHZAYAASFLROQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-8-4-10(3)12(5-9(8)2)15-7-11(14)6-13/h4-5,11,15H,6-7,13-14H2,1-3H3.
What are the key properties of 3-N-(2,4,5-trimethylphenyl)propane-1,2,3-triamine?
3-N-(2,4,5-trimethylphenyl)propane-1,2,3-triamine has a molecular weight of 207.32 g/mol, XLogP of 1.31, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2,4,5-trimethylphenyl)propane-1,2,3-triamine is sourced from PubChem (CID 115119407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).