4-benzhydrylbenzene-1,2-diamine

C19H18N2 — CID 154281140

IUPAC4-benzhydrylbenzene-1,2-diamine
SMILESNc1ccc(C(c2ccccc2)c2ccccc2)cc1N
InChIInChI=1S/C19H18N2/c20-17-12-11-16(13-18(17)21)19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,19H,20-21H2
InChIKeyFQMCIRMYYGVIKD-UHFFFAOYSA-N
MW274.37 g/mol
LogP4.03
Rot. Bonds3

About 4-benzhydrylbenzene-1,2-diamine

4-benzhydrylbenzene-1,2-diamine (PubChem CID 154281140) has the molecular formula C19H18N2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 4-benzhydrylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-benzhydrylbenzene-1,2-diamine
PubChem CID154281140
Molecular FormulaC19H18N2
Molecular Weight274.37 g/mol
Exact Mass274.15
IUPAC Name4-benzhydrylbenzene-1,2-diamine
SMILESNc1ccc(C(c2ccccc2)c2ccccc2)cc1N
InChIInChI=1S/C19H18N2/c20-17-12-11-16(13-18(17)21)19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,19H,20-21H2
InChIKeyFQMCIRMYYGVIKD-UHFFFAOYSA-N
XLogP4.03
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

lithium benzhydrylbenzene
CID 18381038
azane;benzhydrylbenzene
CID 70581647
4-[(3,4-dihydroxyphenyl)-phenylmethyl]benzene-1,2-diol
CID 134202922
1-(3,4-diaminophenyl)ethane-1,2-diol
CID 91166316
5-[(3,5-diamino-2-methylphenyl)-phenylmethyl]-4-methylbenzene-1,3-diamine
CID 11045838
1,4-bis(4-benzhydrylphenyl)benzene;ethane
CID 159665111
1-iodo-4-[(4-iodophenyl)-phenylmethyl]benzene
CID 138659961
4-[2-(4-aminophenyl)-1,2-diphenylethyl]aniline
CID 123960089
1-bromo-4-[(4-bromophenyl)-phenylmethyl]benzene
CID 5083697
1-benzhydryl-4-chlorobenzene
CID 13050205
1-[(3,5-dimethylphenyl)-phenylmethyl]-3,5-dimethylbenzene;ethane
CID 145412167
benzhydrylbenzene hexatetrafluoroborate
CID 173334521

Frequently Asked Questions

What is the IUPAC name of 4-benzhydrylbenzene-1,2-diamine?
The IUPAC name of 4-benzhydrylbenzene-1,2-diamine (CID 154281140) is 4-benzhydrylbenzene-1,2-diamine.
What is the SMILES notation for 4-benzhydrylbenzene-1,2-diamine?
The canonical SMILES for 4-benzhydrylbenzene-1,2-diamine is Nc1ccc(C(c2ccccc2)c2ccccc2)cc1N.
What is the InChIKey of 4-benzhydrylbenzene-1,2-diamine?
The InChIKey is FQMCIRMYYGVIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2/c20-17-12-11-16(13-18(17)21)19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,19H,20-21H2.
What are the key properties of 4-benzhydrylbenzene-1,2-diamine?
4-benzhydrylbenzene-1,2-diamine has a molecular weight of 274.37 g/mol, XLogP of 4.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzhydrylbenzene-1,2-diamine is sourced from PubChem (CID 154281140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).