2-[benzyl(propan-2-yl)amino]benzonitrile

C17H18N2 — CID 29273370

IUPAC2-[benzyl(propan-2-yl)amino]benzonitrile
SMILESCC(C)N(Cc1ccccc1)c1ccccc1C#N
InChIInChI=1S/C17H18N2/c1-14(2)19(13-15-8-4-3-5-9-15)17-11-7-6-10-16(17)12-18/h3-11,14H,13H2,1-2H3
InChIKeyORSPWAVIZJAMMZ-UHFFFAOYSA-N
MW250.35 g/mol
LogP3.97
Rot. Bonds4

About 2-[benzyl(propan-2-yl)amino]benzonitrile

2-[benzyl(propan-2-yl)amino]benzonitrile (PubChem CID 29273370) has the molecular formula C17H18N2 and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-[benzyl(propan-2-yl)amino]benzonitrile.

Molecular Properties

Compound Name2-[benzyl(propan-2-yl)amino]benzonitrile
PubChem CID29273370
Molecular FormulaC17H18N2
Molecular Weight250.35 g/mol
Exact Mass250.15
IUPAC Name2-[benzyl(propan-2-yl)amino]benzonitrile
SMILESCC(C)N(Cc1ccccc1)c1ccccc1C#N
InChIInChI=1S/C17H18N2/c1-14(2)19(13-15-8-4-3-5-9-15)17-11-7-6-10-16(17)12-18/h3-11,14H,13H2,1-2H3
InChIKeyORSPWAVIZJAMMZ-UHFFFAOYSA-N
XLogP3.97
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-aminophenyl)methyl-propan-2-ylamino]benzonitrile
CID 60876648
2-(dibenzylamino)benzonitrile
CID 83779732
2-[3-hydroxypropyl(propan-2-yl)amino]benzonitrile
CID 61147832
3-N-benzyl-2-methyl-3-N-propan-2-ylbenzene-1,3-diamine
CID 63075720
1-N-benzyl-3-chloro-1-N-propan-2-ylbenzene-1,2-diamine
CID 104833916
N-benzyl-3-fluoro-2-nitro-N-propan-2-ylaniline
CID 62665423
2-[butan-2-yl(methyl)amino]benzonitrile
CID 43273059
2-(aminomethyl)-N-benzyl-3-fluoro-N-propan-2-ylaniline
CID 79515468
N-benzyl-2-(ethylaminomethyl)-N-propan-2-ylaniline
CID 43280633
2-[methyl(pyridin-4-ylmethyl)amino]benzonitrile
CID 43420438
1-benzyl-3-(2-cyanophenyl)-1-propan-2-ylurea
CID 108990757
5-amino-6-[benzyl(propan-2-yl)amino]pyridine-3-carbonitrile
CID 103467234

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(propan-2-yl)amino]benzonitrile?
The IUPAC name of 2-[benzyl(propan-2-yl)amino]benzonitrile (CID 29273370) is 2-[benzyl(propan-2-yl)amino]benzonitrile.
What is the SMILES notation for 2-[benzyl(propan-2-yl)amino]benzonitrile?
The canonical SMILES for 2-[benzyl(propan-2-yl)amino]benzonitrile is CC(C)N(Cc1ccccc1)c1ccccc1C#N.
What is the InChIKey of 2-[benzyl(propan-2-yl)amino]benzonitrile?
The InChIKey is ORSPWAVIZJAMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2/c1-14(2)19(13-15-8-4-3-5-9-15)17-11-7-6-10-16(17)12-18/h3-11,14H,13H2,1-2H3.
What are the key properties of 2-[benzyl(propan-2-yl)amino]benzonitrile?
2-[benzyl(propan-2-yl)amino]benzonitrile has a molecular weight of 250.35 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(propan-2-yl)amino]benzonitrile is sourced from PubChem (CID 29273370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).