2-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)amino]benzonitrile

C19H20N2 — CID 43147361

IUPAC2-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)amino]benzonitrile
SMILESCC1(C)CCC(Nc2ccccc2C#N)c2ccccc21
InChIInChI=1S/C19H20N2/c1-19(2)12-11-18(15-8-4-5-9-16(15)19)21-17-10-6-3-7-14(17)13-20/h3-10,18,21H,11-12H2,1-2H3
InChIKeyBZGOACVTQUMGRB-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.78
Rot. Bonds2

About 2-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)amino]benzonitrile

2-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)amino]benzonitrile (PubChem CID 43147361) has the molecular formula C19H20N2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)amino]benzonitrile.

Molecular Properties

Compound Name2-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)amino]benzonitrile
PubChem CID43147361
Molecular FormulaC19H20N2
Molecular Weight276.38 g/mol
Exact Mass276.16
IUPAC Name2-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)amino]benzonitrile
SMILESCC1(C)CCC(Nc2ccccc2C#N)c2ccccc21
InChIInChI=1S/C19H20N2/c1-19(2)12-11-18(15-8-4-5-9-16(15)19)21-17-10-6-3-7-14(17)13-20/h3-10,18,21H,11-12H2,1-2H3
InChIKeyBZGOACVTQUMGRB-UHFFFAOYSA-N
XLogP4.78
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)amino]benzonitrile?
The IUPAC name of 2-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)amino]benzonitrile (CID 43147361) is 2-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)amino]benzonitrile.
What is the SMILES notation for 2-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)amino]benzonitrile?
The canonical SMILES for 2-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)amino]benzonitrile is CC1(C)CCC(Nc2ccccc2C#N)c2ccccc21.
What is the InChIKey of 2-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)amino]benzonitrile?
The InChIKey is BZGOACVTQUMGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2/c1-19(2)12-11-18(15-8-4-5-9-16(15)19)21-17-10-6-3-7-14(17)13-20/h3-10,18,21H,11-12H2,1-2H3.
What are the key properties of 2-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)amino]benzonitrile?
2-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)amino]benzonitrile has a molecular weight of 276.38 g/mol, XLogP of 4.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)amino]benzonitrile is sourced from PubChem (CID 43147361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).