N-[[4-(aminomethyl)phenyl]methyl]-2,5-difluoroaniline

C14H14F2N2 — CID 115213122

IUPACN-[[4-(aminomethyl)phenyl]methyl]-2,5-difluoroaniline
SMILESNCc1ccc(CNc2cc(F)ccc2F)cc1
InChIInChI=1S/C14H14F2N2/c15-12-5-6-13(16)14(7-12)18-9-11-3-1-10(8-17)2-4-11/h1-7,18H,8-9,17H2
InChIKeyWQIRSKAFTSSXCH-UHFFFAOYSA-N
MW248.28 g/mol
LogP3.04
Rot. Bonds4

About N-[[4-(aminomethyl)phenyl]methyl]-2,5-difluoroaniline

N-[[4-(aminomethyl)phenyl]methyl]-2,5-difluoroaniline (PubChem CID 115213122) has the molecular formula C14H14F2N2 and a molecular weight of 248.28 g/mol. Its IUPAC name is N-[[4-(aminomethyl)phenyl]methyl]-2,5-difluoroaniline.

Molecular Properties

Compound NameN-[[4-(aminomethyl)phenyl]methyl]-2,5-difluoroaniline
PubChem CID115213122
Molecular FormulaC14H14F2N2
Molecular Weight248.28 g/mol
Exact Mass248.11
IUPAC NameN-[[4-(aminomethyl)phenyl]methyl]-2,5-difluoroaniline
SMILESNCc1ccc(CNc2cc(F)ccc2F)cc1
InChIInChI=1S/C14H14F2N2/c15-12-5-6-13(16)14(7-12)18-9-11-3-1-10(8-17)2-4-11/h1-7,18H,8-9,17H2
InChIKeyWQIRSKAFTSSXCH-UHFFFAOYSA-N
XLogP3.04
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[[4-(aminomethyl)phenyl]methyl]-2,5-difluoroaniline 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

[4-[(2,5-difluoroanilino)methyl]phenyl]methanol
CID 110006440
2,5-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 29274559
4-[(2,5-difluoroanilino)methyl]benzoic acid
CID 55049553
2,5-difluoro-N-[(4-nitrophenyl)methyl]aniline
CID 28574524
N-[(4-bromo-3-chlorophenyl)methyl]-2,5-difluoroaniline
CID 114076366
2-bromo-4-[(2,5-difluoroanilino)methyl]phenol
CID 63045325
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,5-difluoroaniline
CID 28614019
1-N-[(3,4-difluorophenyl)methyl]-4-fluorobenzene-1,2-diamine
CID 54965616
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,5-difluoroaniline
CID 43804025
4-[(5-chloro-2-fluoroanilino)methyl]phenol
CID 43438420
N-[(2-chloro-3-fluorophenyl)methyl]-2,5-difluoroaniline
CID 112651771
2-fluoro-N-[(3-fluorophenyl)methyl]-5-methylaniline
CID 28879450

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-2,5-difluoroaniline?
The IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-2,5-difluoroaniline (CID 115213122) is N-[[4-(aminomethyl)phenyl]methyl]-2,5-difluoroaniline.
What is the SMILES notation for N-[[4-(aminomethyl)phenyl]methyl]-2,5-difluoroaniline?
The canonical SMILES for N-[[4-(aminomethyl)phenyl]methyl]-2,5-difluoroaniline is NCc1ccc(CNc2cc(F)ccc2F)cc1.
What is the InChIKey of N-[[4-(aminomethyl)phenyl]methyl]-2,5-difluoroaniline?
The InChIKey is WQIRSKAFTSSXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2/c15-12-5-6-13(16)14(7-12)18-9-11-3-1-10(8-17)2-4-11/h1-7,18H,8-9,17H2.
What are the key properties of N-[[4-(aminomethyl)phenyl]methyl]-2,5-difluoroaniline?
N-[[4-(aminomethyl)phenyl]methyl]-2,5-difluoroaniline has a molecular weight of 248.28 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)phenyl]methyl]-2,5-difluoroaniline is sourced from PubChem (CID 115213122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).