4-[amino(diphenyl)methyl]-3-methylbenzene-1,2-diamine

C20H21N3 — CID 139795558

IUPAC4-[amino(diphenyl)methyl]-3-methylbenzene-1,2-diamine
SMILESCc1c(C(N)(c2ccccc2)c2ccccc2)ccc(N)c1N
InChIInChI=1S/C20H21N3/c1-14-17(12-13-18(21)19(14)22)20(23,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-13H,21-23H2,1H3
InChIKeyMPRQVQHVVDYOKH-UHFFFAOYSA-N
MW303.41 g/mol
LogP3.41
Rot. Bonds3

About 4-[amino(diphenyl)methyl]-3-methylbenzene-1,2-diamine

4-[amino(diphenyl)methyl]-3-methylbenzene-1,2-diamine (PubChem CID 139795558) has the molecular formula C20H21N3 and a molecular weight of 303.41 g/mol. Its IUPAC name is 4-[amino(diphenyl)methyl]-3-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-[amino(diphenyl)methyl]-3-methylbenzene-1,2-diamine
PubChem CID139795558
Molecular FormulaC20H21N3
Molecular Weight303.41 g/mol
Exact Mass303.17
IUPAC Name4-[amino(diphenyl)methyl]-3-methylbenzene-1,2-diamine
SMILESCc1c(C(N)(c2ccccc2)c2ccccc2)ccc(N)c1N
InChIInChI=1S/C20H21N3/c1-14-17(12-13-18(21)19(14)22)20(23,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-13H,21-23H2,1H3
InChIKeyMPRQVQHVVDYOKH-UHFFFAOYSA-N
XLogP3.41
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[amino(diphenyl)methyl]-3-methylbenzene-1,2-diamine?
The IUPAC name of 4-[amino(diphenyl)methyl]-3-methylbenzene-1,2-diamine (CID 139795558) is 4-[amino(diphenyl)methyl]-3-methylbenzene-1,2-diamine.
What is the SMILES notation for 4-[amino(diphenyl)methyl]-3-methylbenzene-1,2-diamine?
The canonical SMILES for 4-[amino(diphenyl)methyl]-3-methylbenzene-1,2-diamine is Cc1c(C(N)(c2ccccc2)c2ccccc2)ccc(N)c1N.
What is the InChIKey of 4-[amino(diphenyl)methyl]-3-methylbenzene-1,2-diamine?
The InChIKey is MPRQVQHVVDYOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3/c1-14-17(12-13-18(21)19(14)22)20(23,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-13H,21-23H2,1H3.
What are the key properties of 4-[amino(diphenyl)methyl]-3-methylbenzene-1,2-diamine?
4-[amino(diphenyl)methyl]-3-methylbenzene-1,2-diamine has a molecular weight of 303.41 g/mol, XLogP of 3.41, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino(diphenyl)methyl]-3-methylbenzene-1,2-diamine is sourced from PubChem (CID 139795558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).