(5-amino-2-methylphenyl)methanetriamine

C8H14N4 — CID 163753193

IUPAC(5-amino-2-methylphenyl)methanetriamine
SMILESCc1ccc(N)cc1C(N)(N)N
InChIInChI=1S/C8H14N4/c1-5-2-3-6(9)4-7(5)8(10,11)12/h2-4H,9-12H2,1H3
InChIKeyLRUWUCJNWJJGBR-UHFFFAOYSA-N
MW166.23 g/mol
LogP-0.44
Rot. Bonds1

About (5-amino-2-methylphenyl)methanetriamine

(5-amino-2-methylphenyl)methanetriamine (PubChem CID 163753193) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is (5-amino-2-methylphenyl)methanetriamine.

Molecular Properties

Compound Name(5-amino-2-methylphenyl)methanetriamine
PubChem CID163753193
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name(5-amino-2-methylphenyl)methanetriamine
SMILESCc1ccc(N)cc1C(N)(N)N
InChIInChI=1S/C8H14N4/c1-5-2-3-6(9)4-7(5)8(10,11)12/h2-4H,9-12H2,1H3
InChIKeyLRUWUCJNWJJGBR-UHFFFAOYSA-N
XLogP-0.44
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 5-0.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-methylbenzene-1,3-diamine
CID 159171817
3-(2-aminopropan-2-yl)-4-bromoaniline
CID 84692430
3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 838511
2-methylbenzene-1,4-diamine;sulfane
CID 174900310
4-methyl-3-(2,3,4,5,6-pentamethylphenyl)aniline
CID 63334858
3-(2-aminoethyl)-4-methylaniline
CID 83384141
3-ethyl-4-methylaniline;hydrochloride
CID 23499109
4-[(4-amino-2-methylphenyl)diazenyl]-3-methylaniline
CID 21443876
4-methyl-3-(2-methylpyrimidin-5-yl)aniline
CID 170431309
2-(5-amino-2-methylphenyl)sulfinylacetonitrile
CID 81190853
4-[4-[4-[4-amino-2-(trifluoromethyl)phenyl]phenyl]phenyl]-3-methylaniline
CID 170266599
ethane;methane;3-methoxy-4-methylaniline
CID 144516222

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-methylphenyl)methanetriamine?
The IUPAC name of (5-amino-2-methylphenyl)methanetriamine (CID 163753193) is (5-amino-2-methylphenyl)methanetriamine.
What is the SMILES notation for (5-amino-2-methylphenyl)methanetriamine?
The canonical SMILES for (5-amino-2-methylphenyl)methanetriamine is Cc1ccc(N)cc1C(N)(N)N.
What is the InChIKey of (5-amino-2-methylphenyl)methanetriamine?
The InChIKey is LRUWUCJNWJJGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-5-2-3-6(9)4-7(5)8(10,11)12/h2-4H,9-12H2,1H3.
What are the key properties of (5-amino-2-methylphenyl)methanetriamine?
(5-amino-2-methylphenyl)methanetriamine has a molecular weight of 166.23 g/mol, XLogP of -0.44, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-methylphenyl)methanetriamine is sourced from PubChem (CID 163753193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).