3-[(4-methyl-4-phenylpentan-2-yl)amino]benzonitrile

C19H22N2 — CID 43762494

IUPAC3-[(4-methyl-4-phenylpentan-2-yl)amino]benzonitrile
SMILESCC(CC(C)(C)c1ccccc1)Nc1cccc(C#N)c1
InChIInChI=1S/C19H22N2/c1-15(21-18-11-7-8-16(12-18)14-20)13-19(2,3)17-9-5-4-6-10-17/h4-12,15,21H,13H2,1-3H3
InChIKeyZWCCFFCHWHRABC-UHFFFAOYSA-N
MW278.40 g/mol
LogP4.73
Rot. Bonds5

About 3-[(4-methyl-4-phenylpentan-2-yl)amino]benzonitrile

3-[(4-methyl-4-phenylpentan-2-yl)amino]benzonitrile (PubChem CID 43762494) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-[(4-methyl-4-phenylpentan-2-yl)amino]benzonitrile.

Molecular Properties

Compound Name3-[(4-methyl-4-phenylpentan-2-yl)amino]benzonitrile
PubChem CID43762494
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Name3-[(4-methyl-4-phenylpentan-2-yl)amino]benzonitrile
SMILESCC(CC(C)(C)c1ccccc1)Nc1cccc(C#N)c1
InChIInChI=1S/C19H22N2/c1-15(21-18-11-7-8-16(12-18)14-20)13-19(2,3)17-9-5-4-6-10-17/h4-12,15,21H,13H2,1-3H3
InChIKeyZWCCFFCHWHRABC-UHFFFAOYSA-N
XLogP4.73
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-iodo-N-(4-methyl-4-phenylpentan-2-yl)aniline
CID 43773347
3-(1-aminopropan-2-ylamino)benzonitrile
CID 82503421
3-(6-methylheptan-2-ylamino)benzonitrile
CID 102815676
4-iodo-N-(4-methyl-4-phenylpentan-2-yl)aniline
CID 43773231
3-fluoro-4-methyl-N-(4-methyl-4-phenylpentan-2-yl)aniline
CID 43764409
3-[[2,2,2-trichloro-1-(3-cyanoanilino)ethyl]amino]benzonitrile
CID 95559270
(2R)-N,4-dimethyl-4-phenylpentan-2-amine
CID 42077724
3-[1-(3-cyanoanilino)ethyl]benzonitrile
CID 43762552
3-(but-3-en-2-ylamino)benzonitrile
CID 102817370
3-(2,3-dimethylbutylamino)benzonitrile
CID 102816588
3-[[(2S)-2-methylbutyl]amino]benzonitrile
CID 28615968
3-(7-methyloctylamino)benzonitrile
CID 114004105

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methyl-4-phenylpentan-2-yl)amino]benzonitrile?
The IUPAC name of 3-[(4-methyl-4-phenylpentan-2-yl)amino]benzonitrile (CID 43762494) is 3-[(4-methyl-4-phenylpentan-2-yl)amino]benzonitrile.
What is the SMILES notation for 3-[(4-methyl-4-phenylpentan-2-yl)amino]benzonitrile?
The canonical SMILES for 3-[(4-methyl-4-phenylpentan-2-yl)amino]benzonitrile is CC(CC(C)(C)c1ccccc1)Nc1cccc(C#N)c1.
What is the InChIKey of 3-[(4-methyl-4-phenylpentan-2-yl)amino]benzonitrile?
The InChIKey is ZWCCFFCHWHRABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2/c1-15(21-18-11-7-8-16(12-18)14-20)13-19(2,3)17-9-5-4-6-10-17/h4-12,15,21H,13H2,1-3H3.
What are the key properties of 3-[(4-methyl-4-phenylpentan-2-yl)amino]benzonitrile?
3-[(4-methyl-4-phenylpentan-2-yl)amino]benzonitrile has a molecular weight of 278.40 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methyl-4-phenylpentan-2-yl)amino]benzonitrile is sourced from PubChem (CID 43762494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).