2,3,5-trifluoro-N-(naphthalen-1-ylmethyl)aniline

C17H12F3N — CID 63476657

IUPAC2,3,5-trifluoro-N-(naphthalen-1-ylmethyl)aniline
SMILESFc1cc(F)c(F)c(NCc2cccc3ccccc23)c1
InChIInChI=1S/C17H12F3N/c18-13-8-15(19)17(20)16(9-13)21-10-12-6-3-5-11-4-1-2-7-14(11)12/h1-9,21H,10H2
InChIKeyAYGHFFATXJWHAA-UHFFFAOYSA-N
MW287.28 g/mol
LogP4.87
Rot. Bonds3

About 2,3,5-trifluoro-N-(naphthalen-1-ylmethyl)aniline

2,3,5-trifluoro-N-(naphthalen-1-ylmethyl)aniline (PubChem CID 63476657) has the molecular formula C17H12F3N and a molecular weight of 287.28 g/mol. Its IUPAC name is 2,3,5-trifluoro-N-(naphthalen-1-ylmethyl)aniline.

Molecular Properties

Compound Name2,3,5-trifluoro-N-(naphthalen-1-ylmethyl)aniline
PubChem CID63476657
Molecular FormulaC17H12F3N
Molecular Weight287.28 g/mol
Exact Mass287.09
IUPAC Name2,3,5-trifluoro-N-(naphthalen-1-ylmethyl)aniline
SMILESFc1cc(F)c(F)c(NCc2cccc3ccccc23)c1
InChIInChI=1S/C17H12F3N/c18-13-8-15(19)17(20)16(9-13)21-10-12-6-3-5-11-4-1-2-7-14(11)12/h1-9,21H,10H2
InChIKeyAYGHFFATXJWHAA-UHFFFAOYSA-N
XLogP4.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 2,3,5-trifluoro-N-(naphthalen-1-ylmethyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3,5-trifluoro-N-(1H-indol-7-ylmethyl)aniline
CID 102910790
N-[(2,4-difluorophenyl)methyl]-2,3,5-trifluoroaniline
CID 55118690
2-methyl-6-[(2,3,5-trifluoroanilino)methyl]phenol
CID 112606802
2-bromo-6-[(2,3,5-trifluoroanilino)methyl]phenol
CID 62810492
3-fluoro-2-methyl-N-(naphthalen-1-ylmethyl)aniline
CID 63453833
3-chloro-5-fluoro-N-(naphthalen-1-ylmethyl)aniline
CID 107364306
5-fluoro-N-(naphthalen-1-ylmethyl)pyrimidin-2-amine
CID 112703157
2,3-difluoro-N-[(2-fluorophenyl)methyl]aniline
CID 61075368
2-methyl-N-(naphthalen-1-ylmethyl)aniline
CID 28524236
3,5-difluoro-1-N-[(2-fluorophenyl)methyl]benzene-1,2-diamine
CID 115506482
2,3,5-trifluoro-N-(quinoxalin-2-ylmethyl)aniline
CID 62809285
N-[(2-bromo-5-chlorophenyl)methyl]-2,3,5-trifluoroaniline
CID 66161147

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trifluoro-N-(naphthalen-1-ylmethyl)aniline?
The IUPAC name of 2,3,5-trifluoro-N-(naphthalen-1-ylmethyl)aniline (CID 63476657) is 2,3,5-trifluoro-N-(naphthalen-1-ylmethyl)aniline.
What is the SMILES notation for 2,3,5-trifluoro-N-(naphthalen-1-ylmethyl)aniline?
The canonical SMILES for 2,3,5-trifluoro-N-(naphthalen-1-ylmethyl)aniline is Fc1cc(F)c(F)c(NCc2cccc3ccccc23)c1.
What is the InChIKey of 2,3,5-trifluoro-N-(naphthalen-1-ylmethyl)aniline?
The InChIKey is AYGHFFATXJWHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N/c18-13-8-15(19)17(20)16(9-13)21-10-12-6-3-5-11-4-1-2-7-14(11)12/h1-9,21H,10H2.
What are the key properties of 2,3,5-trifluoro-N-(naphthalen-1-ylmethyl)aniline?
2,3,5-trifluoro-N-(naphthalen-1-ylmethyl)aniline has a molecular weight of 287.28 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trifluoro-N-(naphthalen-1-ylmethyl)aniline is sourced from PubChem (CID 63476657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).