1-N-[(2,4,5-trimethylphenyl)methyl]propane-1,2-diamine

C13H22N2 — CID 115196543

IUPAC1-N-[(2,4,5-trimethylphenyl)methyl]propane-1,2-diamine
SMILESCc1cc(C)c(CNCC(C)N)cc1C
InChIInChI=1S/C13H22N2/c1-9-5-11(3)13(6-10(9)2)8-15-7-12(4)14/h5-6,12,15H,7-8,14H2,1-4H3
InChIKeyFAIYTVQJTFXHOR-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.05
Rot. Bonds4

About 1-N-[(2,4,5-trimethylphenyl)methyl]propane-1,2-diamine

1-N-[(2,4,5-trimethylphenyl)methyl]propane-1,2-diamine (PubChem CID 115196543) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 1-N-[(2,4,5-trimethylphenyl)methyl]propane-1,2-diamine.

Molecular Properties

Compound Name1-N-[(2,4,5-trimethylphenyl)methyl]propane-1,2-diamine
PubChem CID115196543
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name1-N-[(2,4,5-trimethylphenyl)methyl]propane-1,2-diamine
SMILESCc1cc(C)c(CNCC(C)N)cc1C
InChIInChI=1S/C13H22N2/c1-9-5-11(3)13(6-10(9)2)8-15-7-12(4)14/h5-6,12,15H,7-8,14H2,1-4H3
InChIKeyFAIYTVQJTFXHOR-UHFFFAOYSA-N
XLogP2.05
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]propane-1,2-diamine
CID 115196599
2,3,3-trimethyl-N-[(2,4,5-trimethylphenyl)methyl]butan-1-amine
CID 83142141
2-amino-3-[(2,4,5-trimethylphenyl)methylamino]propanoic acid
CID 115240689
2-prop-2-enoxy-N-[(2,4,5-trimethylphenyl)methyl]propan-1-amine
CID 114264043
2-ethyl-N-methyl-N'-[(2,4,5-trimethylphenyl)methyl]propane-1,3-diamine
CID 115255007
N-methyl-N'-[(2,4,5-trimethylphenyl)methyl]methanediamine
CID 115226858
2,4,6-tris[(2-aminopropylamino)methyl]phenol
CID 122573668
1-N-[(4-methoxy-2,3,6-trimethylphenyl)methyl]propane-1,2-diamine
CID 115196603
N'-methyl-N'-propan-2-yl-N-[(2,4,5-trimethylphenyl)methyl]ethane-1,2-diamine
CID 62635925
N-[(4,5-dimethoxy-2-methylphenyl)methyl]-2-methylbutane-1,4-diamine
CID 115202575
2,4-dimethyl-1-[(2,4,5-trimethylphenyl)methylamino]pentan-2-ol
CID 66178191
2-[[(4-methoxy-2,5-dimethylphenyl)methylamino]methyl]-3-methylbutanenitrile
CID 115254466

Frequently Asked Questions

What is the IUPAC name of 1-N-[(2,4,5-trimethylphenyl)methyl]propane-1,2-diamine?
The IUPAC name of 1-N-[(2,4,5-trimethylphenyl)methyl]propane-1,2-diamine (CID 115196543) is 1-N-[(2,4,5-trimethylphenyl)methyl]propane-1,2-diamine.
What is the SMILES notation for 1-N-[(2,4,5-trimethylphenyl)methyl]propane-1,2-diamine?
The canonical SMILES for 1-N-[(2,4,5-trimethylphenyl)methyl]propane-1,2-diamine is Cc1cc(C)c(CNCC(C)N)cc1C.
What is the InChIKey of 1-N-[(2,4,5-trimethylphenyl)methyl]propane-1,2-diamine?
The InChIKey is FAIYTVQJTFXHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-9-5-11(3)13(6-10(9)2)8-15-7-12(4)14/h5-6,12,15H,7-8,14H2,1-4H3.
What are the key properties of 1-N-[(2,4,5-trimethylphenyl)methyl]propane-1,2-diamine?
1-N-[(2,4,5-trimethylphenyl)methyl]propane-1,2-diamine has a molecular weight of 206.33 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(2,4,5-trimethylphenyl)methyl]propane-1,2-diamine is sourced from PubChem (CID 115196543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).