1-amino-3,6-dimethyl-4-phenylnaphthalene-2-carbonitrile

C19H16N2 — CID 11616030

IUPAC1-amino-3,6-dimethyl-4-phenylnaphthalene-2-carbonitrile
SMILESCc1ccc2c(N)c(C#N)c(C)c(-c3ccccc3)c2c1
InChIInChI=1S/C19H16N2/c1-12-8-9-15-16(10-12)18(14-6-4-3-5-7-14)13(2)17(11-20)19(15)21/h3-10H,21H2,1-2H3
InChIKeyOOIPSBDINNAITE-UHFFFAOYSA-N
MW272.35 g/mol
LogP4.58
Rot. Bonds1

About 1-amino-3,6-dimethyl-4-phenylnaphthalene-2-carbonitrile

1-amino-3,6-dimethyl-4-phenylnaphthalene-2-carbonitrile (PubChem CID 11616030) has the molecular formula C19H16N2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-amino-3,6-dimethyl-4-phenylnaphthalene-2-carbonitrile.

Molecular Properties

Compound Name1-amino-3,6-dimethyl-4-phenylnaphthalene-2-carbonitrile
PubChem CID11616030
Molecular FormulaC19H16N2
Molecular Weight272.35 g/mol
Exact Mass272.13
IUPAC Name1-amino-3,6-dimethyl-4-phenylnaphthalene-2-carbonitrile
SMILESCc1ccc2c(N)c(C#N)c(C)c(-c3ccccc3)c2c1
InChIInChI=1S/C19H16N2/c1-12-8-9-15-16(10-12)18(14-6-4-3-5-7-14)13(2)17(11-20)19(15)21/h3-10H,21H2,1-2H3
InChIKeyOOIPSBDINNAITE-UHFFFAOYSA-N
XLogP4.58
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-methyl-3-phenylquinoline-4-carbonitrile
CID 123813624
2,3,6-trimethylnaphthalene-1,4-dicarbonitrile
CID 101223785
2-amino-4-fluoro-3-methoxy-6-methyl-5-phenylbenzonitrile
CID 86097441
2-amino-4-(4-methylphenyl)-6-phenylbenzene-1,3-dicarbonitrile
CID 880489
3-methyl-2,4-diphenylnaphthalen-1-amine
CID 174555006
2,9-dimethyl-10-phenylanthracene
CID 58435289
2,5-dimethyl-12-phenyltetracene
CID 160669382
2,7-dimethyl-1,4-diphenylnaphthalene
CID 46919192
4-amino-2,6-dimethyl-5-phenylpyridine-3-carbonitrile
CID 69458683
6-methyl-2-phenyl-1-benzofuran-3-carbonitrile
CID 66559410
9-chloro-2,6-dimethyl-10-phenylanthracene
CID 58351152
6-methyl-4-phenylquinoline-3-carbonitrile
CID 141436065

Frequently Asked Questions

What is the IUPAC name of 1-amino-3,6-dimethyl-4-phenylnaphthalene-2-carbonitrile?
The IUPAC name of 1-amino-3,6-dimethyl-4-phenylnaphthalene-2-carbonitrile (CID 11616030) is 1-amino-3,6-dimethyl-4-phenylnaphthalene-2-carbonitrile.
What is the SMILES notation for 1-amino-3,6-dimethyl-4-phenylnaphthalene-2-carbonitrile?
The canonical SMILES for 1-amino-3,6-dimethyl-4-phenylnaphthalene-2-carbonitrile is Cc1ccc2c(N)c(C#N)c(C)c(-c3ccccc3)c2c1.
What is the InChIKey of 1-amino-3,6-dimethyl-4-phenylnaphthalene-2-carbonitrile?
The InChIKey is OOIPSBDINNAITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2/c1-12-8-9-15-16(10-12)18(14-6-4-3-5-7-14)13(2)17(11-20)19(15)21/h3-10H,21H2,1-2H3.
What are the key properties of 1-amino-3,6-dimethyl-4-phenylnaphthalene-2-carbonitrile?
1-amino-3,6-dimethyl-4-phenylnaphthalene-2-carbonitrile has a molecular weight of 272.35 g/mol, XLogP of 4.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3,6-dimethyl-4-phenylnaphthalene-2-carbonitrile is sourced from PubChem (CID 11616030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).