2-[4-[di(propan-2-yl)amino]phenyl]benzonitrile

C19H22N2 — CID 172797164

IUPAC2-[4-[di(propan-2-yl)amino]phenyl]benzonitrile
SMILESCC(C)N(c1ccc(-c2ccccc2C#N)cc1)C(C)C
InChIInChI=1S/C19H22N2/c1-14(2)21(15(3)4)18-11-9-16(10-12-18)19-8-6-5-7-17(19)13-20/h5-12,14-15H,1-4H3
InChIKeyQJBYPUKEOXMJIZ-UHFFFAOYSA-N
MW278.40 g/mol
LogP4.85
Rot. Bonds4

About 2-[4-[di(propan-2-yl)amino]phenyl]benzonitrile

2-[4-[di(propan-2-yl)amino]phenyl]benzonitrile (PubChem CID 172797164) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[4-[di(propan-2-yl)amino]phenyl]benzonitrile.

Molecular Properties

Compound Name2-[4-[di(propan-2-yl)amino]phenyl]benzonitrile
PubChem CID172797164
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Name2-[4-[di(propan-2-yl)amino]phenyl]benzonitrile
SMILESCC(C)N(c1ccc(-c2ccccc2C#N)cc1)C(C)C
InChIInChI=1S/C19H22N2/c1-14(2)21(15(3)4)18-11-9-16(10-12-18)19-8-6-5-7-17(19)13-20/h5-12,14-15H,1-4H3
InChIKeyQJBYPUKEOXMJIZ-UHFFFAOYSA-N
XLogP4.85
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(dipropylamino)phenyl]benzonitrile
CID 118401021
2-[4-(N-phenylanilino)phenyl]benzonitrile
CID 53473408
2-[4-[(1S)-1-bromoethyl]phenyl]benzonitrile
CID 124563961
methyl (2S)-2-[4-(2-cyanophenyl)-N-methylanilino]-3-methylbutanoate
CID 73099575
2-[[4-(2-cyanophenyl)phenyl]methyl-propan-2-ylamino]acetamide
CID 18150302
2-(4-chlorophenyl)benzonitrile;hydrochloride
CID 175053913
2-[4-[[bis[[4-(2-cyanophenyl)phenyl]methyl]amino]methyl]phenyl]benzonitrile
CID 90994167
N'-(chloromethyl)-N-[4-(2-cyanophenyl)phenyl]-N-(1-hydroxypropan-2-yl)pentanimidamide
CID 143560650
4-(2-cyanophenyl)benzenesulfonamide
CID 102354115
tert-butyl N-[4-(2-cyanophenyl)phenyl]-N-methylcarbamate
CID 67667245
[4-(2-cyanophenyl)phenyl]methylazanium
CID 34364496
2-(4-pent-1-en-2-ylphenyl)benzonitrile
CID 143621524

Frequently Asked Questions

What is the IUPAC name of 2-[4-[di(propan-2-yl)amino]phenyl]benzonitrile?
The IUPAC name of 2-[4-[di(propan-2-yl)amino]phenyl]benzonitrile (CID 172797164) is 2-[4-[di(propan-2-yl)amino]phenyl]benzonitrile.
What is the SMILES notation for 2-[4-[di(propan-2-yl)amino]phenyl]benzonitrile?
The canonical SMILES for 2-[4-[di(propan-2-yl)amino]phenyl]benzonitrile is CC(C)N(c1ccc(-c2ccccc2C#N)cc1)C(C)C.
What is the InChIKey of 2-[4-[di(propan-2-yl)amino]phenyl]benzonitrile?
The InChIKey is QJBYPUKEOXMJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2/c1-14(2)21(15(3)4)18-11-9-16(10-12-18)19-8-6-5-7-17(19)13-20/h5-12,14-15H,1-4H3.
What are the key properties of 2-[4-[di(propan-2-yl)amino]phenyl]benzonitrile?
2-[4-[di(propan-2-yl)amino]phenyl]benzonitrile has a molecular weight of 278.40 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[di(propan-2-yl)amino]phenyl]benzonitrile is sourced from PubChem (CID 172797164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).