1-N-(2,3,4-trimethylphenyl)propane-1,2-diamine

C12H20N2 — CID 115196344

IUPAC1-N-(2,3,4-trimethylphenyl)propane-1,2-diamine
SMILESCc1ccc(NCC(C)N)c(C)c1C
InChIInChI=1S/C12H20N2/c1-8-5-6-12(11(4)10(8)3)14-7-9(2)13/h5-6,9,14H,7,13H2,1-4H3
InChIKeyIFBRCBWWZQJNQU-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.37
Rot. Bonds3

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

1-N-(2,3,4-trimethylphenyl)propane-1,2-diamine (PubChem CID 115196344) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 1-N-(2,3,4-trimethylphenyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-(2,3,4-trimethylphenyl)propane-1,2-diamine
PubChem CID115196344
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name1-N-(2,3,4-trimethylphenyl)propane-1,2-diamine
SMILESCc1ccc(NCC(C)N)c(C)c1C
InChIInChI=1S/C12H20N2/c1-8-5-6-12(11(4)10(8)3)14-7-9(2)13/h5-6,9,14H,7,13H2,1-4H3
InChIKeyIFBRCBWWZQJNQU-UHFFFAOYSA-N
XLogP2.37
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-3-(2,3,4-trimethylanilino)propan-2-ol
CID 115121186
1-N-(4-tert-butyl-2-methylphenyl)propane-1,2-diamine
CID 115196315
N-methyl-N'-(2,3,4-trimethylphenyl)methanediamine
CID 115226596
1-N-(3,4-dimethylphenyl)propane-1,2-diamine
CID 83695989
N-(methoxymethyl)-2,3,4-trimethylaniline
CID 115258290
2-(2,3,4-trimethylanilino)acetaldehyde
CID 115222704
2-N,2-dimethyl-1-N-(2,3,4-trimethylphenyl)propane-1,2-diamine
CID 115222066
methyl 4-hydroxy-5-(2,3,4-trimethylanilino)pentanoate
CID 115123520
1-N-(4-methoxy-2,5-dimethylphenyl)propane-1,2-diamine
CID 115196260
1-N,4-N-dibutyl-2,3-dimethylbenzene-1,4-diamine
CID 19915579
1-N-(4-methoxy-2,3-dimethylphenyl)pentane-1,4-diamine
CID 115203598
2-amino-N-[(2,3,4-trimethylphenyl)methyl]propanamide
CID 115152411

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,3,4-trimethylphenyl)propane-1,2-diamine?
The IUPAC name of 1-N-(2,3,4-trimethylphenyl)propane-1,2-diamine (CID 115196344) is 1-N-(2,3,4-trimethylphenyl)propane-1,2-diamine.
What is the SMILES notation for 1-N-(2,3,4-trimethylphenyl)propane-1,2-diamine?
The canonical SMILES for 1-N-(2,3,4-trimethylphenyl)propane-1,2-diamine is Cc1ccc(NCC(C)N)c(C)c1C.
What is the InChIKey of 1-N-(2,3,4-trimethylphenyl)propane-1,2-diamine?
The InChIKey is IFBRCBWWZQJNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-8-5-6-12(11(4)10(8)3)14-7-9(2)13/h5-6,9,14H,7,13H2,1-4H3.
What are the key properties of 1-N-(2,3,4-trimethylphenyl)propane-1,2-diamine?
1-N-(2,3,4-trimethylphenyl)propane-1,2-diamine has a molecular weight of 192.31 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,3,4-trimethylphenyl)propane-1,2-diamine is sourced from PubChem (CID 115196344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).