(3,5-dimethylphenyl)methanetriamine

C9H15N3 — CID 143122462

IUPAC(3,5-dimethylphenyl)methanetriamine
SMILESCc1cc(C)cc(C(N)(N)N)c1
InChIInChI=1S/C9H15N3/c1-6-3-7(2)5-8(4-6)9(10,11)12/h3-5H,10-12H2,1-2H3
InChIKeyBQMPRKZKJRNXQX-UHFFFAOYSA-N
MW165.24 g/mol
LogP0.29
Rot. Bonds1

About (3,5-dimethylphenyl)methanetriamine

(3,5-dimethylphenyl)methanetriamine (PubChem CID 143122462) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is (3,5-dimethylphenyl)methanetriamine.

Molecular Properties

Compound Name(3,5-dimethylphenyl)methanetriamine
PubChem CID143122462
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name(3,5-dimethylphenyl)methanetriamine
SMILESCc1cc(C)cc(C(N)(N)N)c1
InChIInChI=1S/C9H15N3/c1-6-3-7(2)5-8(4-6)9(10,11)12/h3-5H,10-12H2,1-2H3
InChIKeyBQMPRKZKJRNXQX-UHFFFAOYSA-N
XLogP0.29
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-2-(3,5-dimethylphenyl)propan-1-ol
CID 130775708
1-[2-(3,5-dimethylphenyl)-1,1,2,2-tetrafluoroethyl]-3,5-dimethylbenzene
CID 139607359
1-cyclopropyl-1-(3,5-dimethylphenyl)ethanamine
CID 82239846
1,3-dimethyl-5-(trifluoromethyl)benzene;ethane
CID 143497301
CID 171375446
CID 171375446
titanium;bis(1,3,5-trimethylbenzene)
CID 12633333
ethane;1,3,5-trimethylbenzene
CID 91530079
(3S)-3-amino-3-(3,5-dimethylphenyl)butan-1-ol
CID 131048662
2-(3-bromo-5-methylphenyl)propan-2-amine
CID 83710324
2-(3,5-dimethylphenyl)-2-fluoropropan-1-amine
CID 112565200
1-tert-butyl-3-methyl-5-(trideuteriomethyl)benzene
CID 165028726
3,5-dimethylaniline;hydrofluoride
CID 158073989

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylphenyl)methanetriamine?
The IUPAC name of (3,5-dimethylphenyl)methanetriamine (CID 143122462) is (3,5-dimethylphenyl)methanetriamine.
What is the SMILES notation for (3,5-dimethylphenyl)methanetriamine?
The canonical SMILES for (3,5-dimethylphenyl)methanetriamine is Cc1cc(C)cc(C(N)(N)N)c1.
What is the InChIKey of (3,5-dimethylphenyl)methanetriamine?
The InChIKey is BQMPRKZKJRNXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-6-3-7(2)5-8(4-6)9(10,11)12/h3-5H,10-12H2,1-2H3.
What are the key properties of (3,5-dimethylphenyl)methanetriamine?
(3,5-dimethylphenyl)methanetriamine has a molecular weight of 165.24 g/mol, XLogP of 0.29, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylphenyl)methanetriamine is sourced from PubChem (CID 143122462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).