3-N-benzhydrylbenzene-1,3-diamine

C19H18N2 — CID 43344281

IUPAC3-N-benzhydrylbenzene-1,3-diamine
SMILESNc1cccc(NC(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C19H18N2/c20-17-12-7-13-18(14-17)21-19(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-14,19,21H,20H2
InChIKeyFQEOJFPNQASCNS-UHFFFAOYSA-N
MW274.37 g/mol
LogP4.47
Rot. Bonds4

About 3-N-benzhydrylbenzene-1,3-diamine

3-N-benzhydrylbenzene-1,3-diamine (PubChem CID 43344281) has the molecular formula C19H18N2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 3-N-benzhydrylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-benzhydrylbenzene-1,3-diamine
PubChem CID43344281
Molecular FormulaC19H18N2
Molecular Weight274.37 g/mol
Exact Mass274.15
IUPAC Name3-N-benzhydrylbenzene-1,3-diamine
SMILESNc1cccc(NC(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C19H18N2/c20-17-12-7-13-18(14-17)21-19(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-14,19,21H,20H2
InChIKeyFQEOJFPNQASCNS-UHFFFAOYSA-N
XLogP4.47
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-N-(1-phenylpropyl)benzene-1,3-diamine
CID 55058097
3-N-(2-phenylpropyl)benzene-1,3-diamine
CID 104591278
3-fluoro-N-[phenyl(pyridin-4-yl)methyl]aniline
CID 43608159
(1R)-2-(3-aminoanilino)-1-phenylethanol;hydrochloride
CID 175066549
4-(benzhydrylamino)benzene-1,2-diol
CID 175113517
2-(3-aminoanilino)propanoic acid
CID 23338715
ethyl 3-(benzhydrylamino)benzoate
CID 172748353
3-N-(1-pyridin-4-ylethyl)benzene-1,3-diamine
CID 43524021
3-N-[1-(4-bromophenyl)ethyl]benzene-1,3-diamine
CID 54965501
1-(3-aminophenyl)-3-(1-phenylpropyl)urea
CID 62304555
N-benzhydryl-3-[4-(1-fluoroethyl)piperazin-1-yl]aniline
CID 134588702
3-N-phenoxybenzene-1,3-diamine
CID 90253580

Frequently Asked Questions

What is the IUPAC name of 3-N-benzhydrylbenzene-1,3-diamine?
The IUPAC name of 3-N-benzhydrylbenzene-1,3-diamine (CID 43344281) is 3-N-benzhydrylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-benzhydrylbenzene-1,3-diamine?
The canonical SMILES for 3-N-benzhydrylbenzene-1,3-diamine is Nc1cccc(NC(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 3-N-benzhydrylbenzene-1,3-diamine?
The InChIKey is FQEOJFPNQASCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2/c20-17-12-7-13-18(14-17)21-19(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-14,19,21H,20H2.
What are the key properties of 3-N-benzhydrylbenzene-1,3-diamine?
3-N-benzhydrylbenzene-1,3-diamine has a molecular weight of 274.37 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-benzhydrylbenzene-1,3-diamine is sourced from PubChem (CID 43344281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).