N-[(3-cyclopropylphenyl)methyl]-2,4,6-trifluoroaniline

C16H14F3N — CID 79983784

IUPACN-[(3-cyclopropylphenyl)methyl]-2,4,6-trifluoroaniline
SMILESFc1cc(F)c(NCc2cccc(C3CC3)c2)c(F)c1
InChIInChI=1S/C16H14F3N/c17-13-7-14(18)16(15(19)8-13)20-9-10-2-1-3-12(6-10)11-4-5-11/h1-3,6-8,11,20H,4-5,9H2
InChIKeyJVEYWTHXZYVBQR-UHFFFAOYSA-N
MW277.29 g/mol
LogP4.59
Rot. Bonds4

About N-[(3-cyclopropylphenyl)methyl]-2,4,6-trifluoroaniline

N-[(3-cyclopropylphenyl)methyl]-2,4,6-trifluoroaniline (PubChem CID 79983784) has the molecular formula C16H14F3N and a molecular weight of 277.29 g/mol. Its IUPAC name is N-[(3-cyclopropylphenyl)methyl]-2,4,6-trifluoroaniline.

Molecular Properties

Compound NameN-[(3-cyclopropylphenyl)methyl]-2,4,6-trifluoroaniline
PubChem CID79983784
Molecular FormulaC16H14F3N
Molecular Weight277.29 g/mol
Exact Mass277.11
IUPAC NameN-[(3-cyclopropylphenyl)methyl]-2,4,6-trifluoroaniline
SMILESFc1cc(F)c(NCc2cccc(C3CC3)c2)c(F)c1
InChIInChI=1S/C16H14F3N/c17-13-7-14(18)16(15(19)8-13)20-9-10-2-1-3-12(6-10)11-4-5-11/h1-3,6-8,11,20H,4-5,9H2
InChIKeyJVEYWTHXZYVBQR-UHFFFAOYSA-N
XLogP4.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-cyclopropylphenyl)methyl]-2,4-difluoroaniline
CID 79979330
5-chloro-N-[(3-cyclopropylphenyl)methyl]-2-fluoroaniline
CID 79979636
1-(3-cyclopropylphenyl)-N-[(2,4-difluorophenyl)methyl]methanamine
CID 79979738
4-chloro-N-[(3-cyclopropylphenyl)methyl]-3-fluoroaniline
CID 79979141
5-bromo-N-[(3-cyclopropylphenyl)methyl]-2-fluoroaniline
CID 79978991
2,6-dibromo-N-[(3-cyclopropylphenyl)methyl]-4-methylaniline
CID 79979126
2-chloro-N-[(3-cyclopropylphenyl)methyl]-6-methylaniline
CID 79984098
3,5-dichloro-N-[(3-cyclopropylphenyl)methyl]aniline
CID 79978669
4-bromo-N-[(3-cyclopropylphenyl)methyl]aniline
CID 79979328
N-[(3-cyclopropylphenyl)methyl]-4-methylsulfanylaniline
CID 79979176
3-chloro-N-[(3-cyclopropylphenyl)methyl]aniline
CID 79979180
4-chloro-N-[(3-cyclopropylphenyl)methyl]-2-methylaniline
CID 79979115

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropylphenyl)methyl]-2,4,6-trifluoroaniline?
The IUPAC name of N-[(3-cyclopropylphenyl)methyl]-2,4,6-trifluoroaniline (CID 79983784) is N-[(3-cyclopropylphenyl)methyl]-2,4,6-trifluoroaniline.
What is the SMILES notation for N-[(3-cyclopropylphenyl)methyl]-2,4,6-trifluoroaniline?
The canonical SMILES for N-[(3-cyclopropylphenyl)methyl]-2,4,6-trifluoroaniline is Fc1cc(F)c(NCc2cccc(C3CC3)c2)c(F)c1.
What is the InChIKey of N-[(3-cyclopropylphenyl)methyl]-2,4,6-trifluoroaniline?
The InChIKey is JVEYWTHXZYVBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N/c17-13-7-14(18)16(15(19)8-13)20-9-10-2-1-3-12(6-10)11-4-5-11/h1-3,6-8,11,20H,4-5,9H2.
What are the key properties of N-[(3-cyclopropylphenyl)methyl]-2,4,6-trifluoroaniline?
N-[(3-cyclopropylphenyl)methyl]-2,4,6-trifluoroaniline has a molecular weight of 277.29 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropylphenyl)methyl]-2,4,6-trifluoroaniline is sourced from PubChem (CID 79983784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).