3-N-[(2,5-diaminophenyl)methyl]-3-N-methylbenzene-1,2,3-triamine

C14H19N5 — CID 23440219

IUPAC3-N-[(2,5-diaminophenyl)methyl]-3-N-methylbenzene-1,2,3-triamine
SMILESCN(Cc1cc(N)ccc1N)c1cccc(N)c1N
InChIInChI=1S/C14H19N5/c1-19(13-4-2-3-12(17)14(13)18)8-9-7-10(15)5-6-11(9)16/h2-7H,8,15-18H2,1H3
InChIKeyNNMNEQDFTWVYOE-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.65
Rot. Bonds3

About 3-N-[(2,5-diaminophenyl)methyl]-3-N-methylbenzene-1,2,3-triamine

3-N-[(2,5-diaminophenyl)methyl]-3-N-methylbenzene-1,2,3-triamine (PubChem CID 23440219) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-N-[(2,5-diaminophenyl)methyl]-3-N-methylbenzene-1,2,3-triamine.

Molecular Properties

Compound Name3-N-[(2,5-diaminophenyl)methyl]-3-N-methylbenzene-1,2,3-triamine
PubChem CID23440219
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name3-N-[(2,5-diaminophenyl)methyl]-3-N-methylbenzene-1,2,3-triamine
SMILESCN(Cc1cc(N)ccc1N)c1cccc(N)c1N
InChIInChI=1S/C14H19N5/c1-19(13-4-2-3-12(17)14(13)18)8-9-7-10(15)5-6-11(9)16/h2-7H,8,15-18H2,1H3
InChIKeyNNMNEQDFTWVYOE-UHFFFAOYSA-N
XLogP1.65
TPSA107.32 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-4-[(2-fluoro-N-methylanilino)methyl]aniline
CID 64768467
2-[(5-amino-2-chlorophenyl)methyl-methylamino]-6-bromobenzamide
CID 114887499
4-methyl-3-[(N-methylanilino)methyl]aniline
CID 82128220
4-chloro-2-N-[(2-chloro-3-fluorophenyl)methyl]-2-N-methylbenzene-1,2-diamine
CID 107466083
1-N-[(2-bromophenyl)methyl]-1-N,3-dimethylbenzene-1,2-diamine
CID 114041193
1-N-benzyl-1-N,2-dimethylbenzene-1,4-diamine
CID 43165465
2-[2-(2-methylphenyl)ethyl]benzene-1,4-diamine
CID 175547385
2-[(2-aminophenyl)methyl-methylamino]-6-chlorobenzonitrile
CID 62497687
3-chloro-1-N-[(2-fluorophenyl)methyl]-1-N-methylbenzene-1,2-diamine
CID 104834154
1-N-[(2-fluorophenyl)methyl]-2-iodo-1-N-methylbenzene-1,4-diamine
CID 66094772
3-chloro-1-N-[(3-chlorophenyl)methyl]-1-N-methylbenzene-1,2-diamine
CID 104834227
N-[(2-amino-5-fluorophenyl)methyl]-N,2,4-trimethylaniline
CID 62001809

Frequently Asked Questions

What is the IUPAC name of 3-N-[(2,5-diaminophenyl)methyl]-3-N-methylbenzene-1,2,3-triamine?
The IUPAC name of 3-N-[(2,5-diaminophenyl)methyl]-3-N-methylbenzene-1,2,3-triamine (CID 23440219) is 3-N-[(2,5-diaminophenyl)methyl]-3-N-methylbenzene-1,2,3-triamine.
What is the SMILES notation for 3-N-[(2,5-diaminophenyl)methyl]-3-N-methylbenzene-1,2,3-triamine?
The canonical SMILES for 3-N-[(2,5-diaminophenyl)methyl]-3-N-methylbenzene-1,2,3-triamine is CN(Cc1cc(N)ccc1N)c1cccc(N)c1N.
What is the InChIKey of 3-N-[(2,5-diaminophenyl)methyl]-3-N-methylbenzene-1,2,3-triamine?
The InChIKey is NNMNEQDFTWVYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-19(13-4-2-3-12(17)14(13)18)8-9-7-10(15)5-6-11(9)16/h2-7H,8,15-18H2,1H3.
What are the key properties of 3-N-[(2,5-diaminophenyl)methyl]-3-N-methylbenzene-1,2,3-triamine?
3-N-[(2,5-diaminophenyl)methyl]-3-N-methylbenzene-1,2,3-triamine has a molecular weight of 257.34 g/mol, XLogP of 1.65, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(2,5-diaminophenyl)methyl]-3-N-methylbenzene-1,2,3-triamine is sourced from PubChem (CID 23440219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).