2-[butyl(ethyl)amino]-2-(4-chlorophenyl)acetonitrile

C14H19ClN2 — CID 84756999

IUPAC2-[butyl(ethyl)amino]-2-(4-chlorophenyl)acetonitrile
SMILESCCCCN(CC)C(C#N)c1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2/c1-3-5-10-17(4-2)14(11-16)12-6-8-13(15)9-7-12/h6-9,14H,3-5,10H2,1-2H3
InChIKeyQXGPSTQUZAEYFT-UHFFFAOYSA-N
MW250.77 g/mol
LogP4.03
Rot. Bonds6

About 2-[butyl(ethyl)amino]-2-(4-chlorophenyl)acetonitrile

2-[butyl(ethyl)amino]-2-(4-chlorophenyl)acetonitrile (PubChem CID 84756999) has the molecular formula C14H19ClN2 and a molecular weight of 250.77 g/mol. Its IUPAC name is 2-[butyl(ethyl)amino]-2-(4-chlorophenyl)acetonitrile.

Molecular Properties

Compound Name2-[butyl(ethyl)amino]-2-(4-chlorophenyl)acetonitrile
PubChem CID84756999
Molecular FormulaC14H19ClN2
Molecular Weight250.77 g/mol
Exact Mass250.12
IUPAC Name2-[butyl(ethyl)amino]-2-(4-chlorophenyl)acetonitrile
SMILESCCCCN(CC)C(C#N)c1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2/c1-3-5-10-17(4-2)14(11-16)12-6-8-13(15)9-7-12/h6-9,14H,3-5,10H2,1-2H3
InChIKeyQXGPSTQUZAEYFT-UHFFFAOYSA-N
XLogP4.03
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(dipropylamino)-2-(4-methylphenyl)acetonitrile
CID 84756866
N-[1-(4-chlorophenyl)-2-piperazin-1-ylethyl]-N-ethylbutan-1-amine
CID 82201682
2-[butyl(methyl)amino]-2-(3,4-dichlorophenyl)acetonitrile
CID 84757704
2-[[2-amino-1-(4-chlorophenyl)propyl]-butylamino]ethanol
CID 55014902
(2R)-2-(4-chlorophenyl)decanenitrile
CID 125465892
2-[butyl(methyl)amino]-2-(2,4-dichlorophenyl)acetonitrile
CID 84757701
2-[butyl(methyl)amino]-2-[4-(diethylaminomethyl)phenyl]acetonitrile
CID 84757721
2-[ethyl(2-hydroxyethyl)amino]-2-(4-nitrophenyl)acetonitrile
CID 84757401
3-[[(4-tert-butylphenyl)-cyanomethyl]-ethylamino]propanoic acid
CID 84757946
1-(4-chlorophenyl)-N,N-diethyl-N'-octylethane-1,2-diamine
CID 110827055
2-(4-chlorophenyl)-4-(diethylamino)butanenitrile
CID 12550813
3-[butan-2-yl(butyl)amino]-1-(4-chlorophenyl)propan-1-ol
CID 63489960

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(ethyl)amino]-2-(4-chlorophenyl)acetonitrile?
The IUPAC name of 2-[butyl(ethyl)amino]-2-(4-chlorophenyl)acetonitrile (CID 84756999) is 2-[butyl(ethyl)amino]-2-(4-chlorophenyl)acetonitrile.
What is the SMILES notation for 2-[butyl(ethyl)amino]-2-(4-chlorophenyl)acetonitrile?
The canonical SMILES for 2-[butyl(ethyl)amino]-2-(4-chlorophenyl)acetonitrile is CCCCN(CC)C(C#N)c1ccc(Cl)cc1.
What is the InChIKey of 2-[butyl(ethyl)amino]-2-(4-chlorophenyl)acetonitrile?
The InChIKey is QXGPSTQUZAEYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2/c1-3-5-10-17(4-2)14(11-16)12-6-8-13(15)9-7-12/h6-9,14H,3-5,10H2,1-2H3.
What are the key properties of 2-[butyl(ethyl)amino]-2-(4-chlorophenyl)acetonitrile?
2-[butyl(ethyl)amino]-2-(4-chlorophenyl)acetonitrile has a molecular weight of 250.77 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(ethyl)amino]-2-(4-chlorophenyl)acetonitrile is sourced from PubChem (CID 84756999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).