N-[(3,4-difluorophenyl)methyl]-4-(triazol-2-yl)aniline

C15H12F2N4 — CID 43740303

IUPACN-[(3,4-difluorophenyl)methyl]-4-(triazol-2-yl)aniline
SMILESFc1ccc(CNc2ccc(-n3nccn3)cc2)cc1F
InChIInChI=1S/C15H12F2N4/c16-14-6-1-11(9-15(14)17)10-18-12-2-4-13(5-3-12)21-19-7-8-20-21/h1-9,18H,10H2
InChIKeyDYDQNCKVXVEIDJ-UHFFFAOYSA-N
MW286.29 g/mol
LogP3.16
Rot. Bonds4

About N-[(3,4-difluorophenyl)methyl]-4-(triazol-2-yl)aniline

N-[(3,4-difluorophenyl)methyl]-4-(triazol-2-yl)aniline (PubChem CID 43740303) has the molecular formula C15H12F2N4 and a molecular weight of 286.29 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-4-(triazol-2-yl)aniline.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-4-(triazol-2-yl)aniline
PubChem CID43740303
Molecular FormulaC15H12F2N4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC NameN-[(3,4-difluorophenyl)methyl]-4-(triazol-2-yl)aniline
SMILESFc1ccc(CNc2ccc(-n3nccn3)cc2)cc1F
InChIInChI=1S/C15H12F2N4/c16-14-6-1-11(9-15(14)17)10-18-12-2-4-13(5-3-12)21-19-7-8-20-21/h1-9,18H,10H2
InChIKeyDYDQNCKVXVEIDJ-UHFFFAOYSA-N
XLogP3.16
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-3-(1H-1,2,3-triazol-5-yl)aniline
CID 9942963
N-[(1-benzyltriazol-4-yl)methyl]aniline
CID 16745947
4H-1,2,4-Triazolium, 1,4-dimethyl-5-(2-(4-(methyl(phenylmethyl)amino)phenyl)diazenyl)-, chloride (1:1)
CID 6400575
[2-Fluoro-4-(triazol-2-yl)phenyl]methanamine
CID 21069836
[4-Fluoro-2-(triazol-1-yl)phenyl]methanamine
CID 21069879
4-[4-[(4-Fluoro-2-methylanilino)methyl]triazol-2-yl]benzonitrile
CID 68705198
4,5-Difluoro-2-[(1H-1,2,3-triazol-1-yl)methyl]aniline
CID 69453211
[5-Fluoro-2-(triazol-1-yl)phenyl]methanamine
CID 70127008
1-[4-fluoro-2-(triazol-1-yl)phenyl]-N-methylmethanamine
CID 70905115
4-[(E)-2-[4-[[1-(2-fluoroethyl)triazol-4-yl]methylamino]phenyl]ethenyl]aniline
CID 130424357
3-(Difluoromethyl)-4-(triazol-2-yl)aniline
CID 134211623
2,3,4-trifluoro-N-(4-iodo-2-methylphenyl)-6-(triazol-1-yl)aniline
CID 141030560

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-4-(triazol-2-yl)aniline?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-4-(triazol-2-yl)aniline (CID 43740303) is N-[(3,4-difluorophenyl)methyl]-4-(triazol-2-yl)aniline.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-4-(triazol-2-yl)aniline?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-4-(triazol-2-yl)aniline is Fc1ccc(CNc2ccc(-n3nccn3)cc2)cc1F.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-4-(triazol-2-yl)aniline?
The InChIKey is DYDQNCKVXVEIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N4/c16-14-6-1-11(9-15(14)17)10-18-12-2-4-13(5-3-12)21-19-7-8-20-21/h1-9,18H,10H2.
What are the key properties of N-[(3,4-difluorophenyl)methyl]-4-(triazol-2-yl)aniline?
N-[(3,4-difluorophenyl)methyl]-4-(triazol-2-yl)aniline has a molecular weight of 286.29 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-4-(triazol-2-yl)aniline is sourced from PubChem (CID 43740303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).