4-[cyclopropylmethyl(ethyl)amino]-2-(trifluoromethyl)benzonitrile

C14H15F3N2 — CID 63954569

IUPAC4-[cyclopropylmethyl(ethyl)amino]-2-(trifluoromethyl)benzonitrile
SMILESCCN(CC1CC1)c1ccc(C#N)c(C(F)(F)F)c1
InChIInChI=1S/C14H15F3N2/c1-2-19(9-10-3-4-10)12-6-5-11(8-18)13(7-12)14(15,16)17/h5-7,10H,2-4,9H2,1H3
InChIKeyQXZWFRONGLNPFQ-UHFFFAOYSA-N
MW268.28 g/mol
LogP3.81
Rot. Bonds4

About 4-[cyclopropylmethyl(ethyl)amino]-2-(trifluoromethyl)benzonitrile

4-[cyclopropylmethyl(ethyl)amino]-2-(trifluoromethyl)benzonitrile (PubChem CID 63954569) has the molecular formula C14H15F3N2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 4-[cyclopropylmethyl(ethyl)amino]-2-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name4-[cyclopropylmethyl(ethyl)amino]-2-(trifluoromethyl)benzonitrile
PubChem CID63954569
Molecular FormulaC14H15F3N2
Molecular Weight268.28 g/mol
Exact Mass268.12
IUPAC Name4-[cyclopropylmethyl(ethyl)amino]-2-(trifluoromethyl)benzonitrile
SMILESCCN(CC1CC1)c1ccc(C#N)c(C(F)(F)F)c1
InChIInChI=1S/C14H15F3N2/c1-2-19(9-10-3-4-10)12-6-5-11(8-18)13(7-12)14(15,16)17/h5-7,10H,2-4,9H2,1H3
InChIKeyQXZWFRONGLNPFQ-UHFFFAOYSA-N
XLogP3.81
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(diethylamino)-2-(trifluoromethyl)benzonitrile
CID 11356913
4-[3-(dimethylamino)propyl-ethylamino]-2-(trifluoromethyl)benzonitrile
CID 102993184
4-[ethyl(2,2,2-trifluoroethyl)amino]-2-(trifluoromethyl)benzonitrile;4-[methyl(2,2,2-trifluoroethyl)amino]-2-(trifluoromethyl)benzonitrile
CID 162220380
4-(dibutylamino)-2-(trifluoromethyl)benzonitrile
CID 11392366
4-[cyclopentyl(methyl)amino]-2-(trifluoromethyl)benzonitrile
CID 11521859
N-[4-cyano-3-(trifluoromethyl)phenyl]-N-(cyclopropylmethyl)-2-(propylamino)acetamide
CID 68582483
(2S)-2-[4-cyano-N-(cyclopropylmethyl)-3-(trifluoromethyl)anilino]-N,N-dimethylpropanamide
CID 68583815
2-[cyclopropylmethyl(ethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78966717
[4-[cyclobutylmethyl(ethyl)amino]-2-(trifluoromethyl)phenyl]methanol
CID 107399684
4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-(trifluoromethyl)benzonitrile
CID 63274111
4-[cyclopropylmethyl(1-naphthalen-2-ylethyl)amino]-2-(trifluoromethyl)benzonitrile
CID 73158076
4-[methyl(propyl)amino]-2-(trifluoromethyl)benzonitrile
CID 43271422

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropylmethyl(ethyl)amino]-2-(trifluoromethyl)benzonitrile?
The IUPAC name of 4-[cyclopropylmethyl(ethyl)amino]-2-(trifluoromethyl)benzonitrile (CID 63954569) is 4-[cyclopropylmethyl(ethyl)amino]-2-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 4-[cyclopropylmethyl(ethyl)amino]-2-(trifluoromethyl)benzonitrile?
The canonical SMILES for 4-[cyclopropylmethyl(ethyl)amino]-2-(trifluoromethyl)benzonitrile is CCN(CC1CC1)c1ccc(C#N)c(C(F)(F)F)c1.
What is the InChIKey of 4-[cyclopropylmethyl(ethyl)amino]-2-(trifluoromethyl)benzonitrile?
The InChIKey is QXZWFRONGLNPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2/c1-2-19(9-10-3-4-10)12-6-5-11(8-18)13(7-12)14(15,16)17/h5-7,10H,2-4,9H2,1H3.
What are the key properties of 4-[cyclopropylmethyl(ethyl)amino]-2-(trifluoromethyl)benzonitrile?
4-[cyclopropylmethyl(ethyl)amino]-2-(trifluoromethyl)benzonitrile has a molecular weight of 268.28 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropylmethyl(ethyl)amino]-2-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 63954569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).