[2-[bis(2-methylphenyl)methyl]phenyl]methanetriamine;hydrochloride

C22H26ClN3 — CID 172809634

IUPAC[2-[bis(2-methylphenyl)methyl]phenyl]methanetriamine;hydrochloride
SMILESCc1ccccc1C(c1ccccc1C)c1ccccc1C(N)(N)N.Cl
InChIInChI=1S/C22H25N3.ClH/c1-15-9-3-5-11-17(15)21(18-12-6-4-10-16(18)2)19-13-7-8-14-20(19)22(23,24)25;/h3-14,21H,23-25H2,1-2H3;1H
InChIKeyRZLMCARESUDRCX-UHFFFAOYSA-N
MW367.92 g/mol
LogP3.89
Rot. Bonds4

About [2-[bis(2-methylphenyl)methyl]phenyl]methanetriamine;hydrochloride

[2-[bis(2-methylphenyl)methyl]phenyl]methanetriamine;hydrochloride (PubChem CID 172809634) has the molecular formula C22H26ClN3 and a molecular weight of 367.92 g/mol. Its IUPAC name is [2-[bis(2-methylphenyl)methyl]phenyl]methanetriamine;hydrochloride.

Molecular Properties

Compound Name[2-[bis(2-methylphenyl)methyl]phenyl]methanetriamine;hydrochloride
PubChem CID172809634
Molecular FormulaC22H26ClN3
Molecular Weight367.92 g/mol
Exact Mass367.18
IUPAC Name[2-[bis(2-methylphenyl)methyl]phenyl]methanetriamine;hydrochloride
SMILESCc1ccccc1C(c1ccccc1C)c1ccccc1C(N)(N)N.Cl
InChIInChI=1S/C22H25N3.ClH/c1-15-9-3-5-11-17(15)21(18-12-6-4-10-16(18)2)19-13-7-8-14-20(19)22(23,24)25;/h3-14,21H,23-25H2,1-2H3;1H
InChIKeyRZLMCARESUDRCX-UHFFFAOYSA-N
XLogP3.89
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.92
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [2-[bis(2-methylphenyl)methyl]phenyl]methanetriamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tritylamine
CID 138598
1-(2-Methylphenyl)cyclohexan-1-amine
CID 36133757
trans-(1R,2S)-2-methyl-1-phenylcyclohexan-1-amine;hydrochloride
CID 45259736
1-(2-Methylphenyl)cyclohexylamine hydrochloride
CID 45259746
cis-(1R,2R)-2-methyl-1-phenylcyclohexan-1-amine;hydrochloride
CID 45264185
US11485708, Compd ID 1.018
CID 155463704
Benzeneethanamine, 4-(4-((aminomethyl)phenyl)butyl)-, monohydrochloride
CID 3045691
C,C,C-Tri-P-tolyl-methylamine
CID 4166619
(2-Phenylphenyl)methanamine hydrochloride
CID 17749830
1-(4-Phenylphenyl)cyclohexan-1-amine;hydrochloride
CID 45259858
Methanediamine, 1,1-diphenyl-
CID 3036810
3,6-Diphenylhex-5-en-3-amine
CID 53422440

Frequently Asked Questions

What is the IUPAC name of [2-[bis(2-methylphenyl)methyl]phenyl]methanetriamine;hydrochloride?
The IUPAC name of [2-[bis(2-methylphenyl)methyl]phenyl]methanetriamine;hydrochloride (CID 172809634) is [2-[bis(2-methylphenyl)methyl]phenyl]methanetriamine;hydrochloride.
What is the SMILES notation for [2-[bis(2-methylphenyl)methyl]phenyl]methanetriamine;hydrochloride?
The canonical SMILES for [2-[bis(2-methylphenyl)methyl]phenyl]methanetriamine;hydrochloride is Cc1ccccc1C(c1ccccc1C)c1ccccc1C(N)(N)N.Cl.
What is the InChIKey of [2-[bis(2-methylphenyl)methyl]phenyl]methanetriamine;hydrochloride?
The InChIKey is RZLMCARESUDRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3.ClH/c1-15-9-3-5-11-17(15)21(18-12-6-4-10-16(18)2)19-13-7-8-14-20(19)22(23,24)25;/h3-14,21H,23-25H2,1-2H3;1H.
What are the key properties of [2-[bis(2-methylphenyl)methyl]phenyl]methanetriamine;hydrochloride?
[2-[bis(2-methylphenyl)methyl]phenyl]methanetriamine;hydrochloride has a molecular weight of 367.92 g/mol, XLogP of 3.89, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[bis(2-methylphenyl)methyl]phenyl]methanetriamine;hydrochloride is sourced from PubChem (CID 172809634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).