2-[1-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]cyclopropyl]acetonitrile

C14H15F3N2 — CID 65481337

IUPAC2-[1-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]cyclopropyl]acetonitrile
SMILESN#CCC1(CNCc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C14H15F3N2/c15-14(16,17)12-3-1-2-11(8-12)9-19-10-13(4-5-13)6-7-18/h1-3,8,19H,4-6,9-10H2
InChIKeyKSOSFXFMIZCGBS-UHFFFAOYSA-N
MW268.28 g/mol
LogP3.49
Rot. Bonds5

About 2-[1-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]cyclopropyl]acetonitrile

2-[1-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]cyclopropyl]acetonitrile (PubChem CID 65481337) has the molecular formula C14H15F3N2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 2-[1-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]cyclopropyl]acetonitrile
PubChem CID65481337
Molecular FormulaC14H15F3N2
Molecular Weight268.28 g/mol
Exact Mass268.12
IUPAC Name2-[1-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]cyclopropyl]acetonitrile
SMILESN#CCC1(CNCc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C14H15F3N2/c15-14(16,17)12-3-1-2-11(8-12)9-19-10-13(4-5-13)6-7-18/h1-3,8,19H,4-6,9-10H2
InChIKeyKSOSFXFMIZCGBS-UHFFFAOYSA-N
XLogP3.49
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[[(3-fluorophenyl)methylamino]methyl]cyclopropyl]acetonitrile
CID 65481545
N-[(1-methylsulfanylcyclobutyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 107267060
2-methyl-3-[[3-(trifluoromethyl)phenyl]methylamino]propanenitrile
CID 43242659
1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclobutan-1-amine
CID 115765833
1-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropan-1-amine
CID 106209964
N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine;molecular hydrogen
CID 145483676
2-[1-[[(2-ethylphenyl)methylamino]methyl]cyclopropyl]acetonitrile
CID 65497124
1-[[3-(trifluoromethyl)phenyl]methyl]cycloheptane-1-carbonitrile
CID 65389527
2-[[3-(trifluoromethyl)phenyl]methyl]propanedinitrile
CID 56649771
N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 10658372
(2S)-1-amino-3-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-ol
CID 70832697
(3S)-7-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]spiro[3.5]nonan-3-amine
CID 156602633

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]cyclopropyl]acetonitrile (CID 65481337) is 2-[1-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]cyclopropyl]acetonitrile is N#CCC1(CNCc2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 2-[1-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]cyclopropyl]acetonitrile?
The InChIKey is KSOSFXFMIZCGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2/c15-14(16,17)12-3-1-2-11(8-12)9-19-10-13(4-5-13)6-7-18/h1-3,8,19H,4-6,9-10H2.
What are the key properties of 2-[1-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]cyclopropyl]acetonitrile?
2-[1-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]cyclopropyl]acetonitrile has a molecular weight of 268.28 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 65481337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).