N-[(2,5-difluorophenyl)methyl]-4-propan-2-ylaniline

C16H17F2N — CID 43312594

IUPACN-[(2,5-difluorophenyl)methyl]-4-propan-2-ylaniline
SMILESCC(C)c1ccc(NCc2cc(F)ccc2F)cc1
InChIInChI=1S/C16H17F2N/c1-11(2)12-3-6-15(7-4-12)19-10-13-9-14(17)5-8-16(13)18/h3-9,11,19H,10H2,1-2H3
InChIKeyWVMNIOPFGBTKRM-UHFFFAOYSA-N
MW261.31 g/mol
LogP4.70
Rot. Bonds4

About N-[(2,5-difluorophenyl)methyl]-4-propan-2-ylaniline

N-[(2,5-difluorophenyl)methyl]-4-propan-2-ylaniline (PubChem CID 43312594) has the molecular formula C16H17F2N and a molecular weight of 261.31 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-4-propan-2-ylaniline.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-4-propan-2-ylaniline
PubChem CID43312594
Molecular FormulaC16H17F2N
Molecular Weight261.31 g/mol
Exact Mass261.13
IUPAC NameN-[(2,5-difluorophenyl)methyl]-4-propan-2-ylaniline
SMILESCC(C)c1ccc(NCc2cc(F)ccc2F)cc1
InChIInChI=1S/C16H17F2N/c1-11(2)12-3-6-15(7-4-12)19-10-13-9-14(17)5-8-16(13)18/h3-9,11,19H,10H2,1-2H3
InChIKeyWVMNIOPFGBTKRM-UHFFFAOYSA-N
XLogP4.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(2,5-difluorophenyl)methyl]-4-propan-2-ylaniline 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

N-[(2-bromo-4-fluorophenyl)methyl]-4-propan-2-ylaniline
CID 28511745
N-[(2-fluorophenyl)methyl]-4-propan-2-ylaniline
CID 28551331
4-propan-2-yl-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 43760581
methyl 4-[(2,5-difluorophenyl)methylamino]benzoate
CID 43312807
4-[(2,5-difluorophenyl)methylamino]-N-(1-hydroxypropan-2-yl)benzamide
CID 111970105
4-N-[(2,5-difluorophenyl)methyl]-2-fluorobenzene-1,4-diamine
CID 115123866
[2-(2,5-difluorophenyl)-1-(4-propan-2-ylphenyl)ethyl]hydrazine
CID 105194039
4-N-[(2,5-difluorophenyl)methyl]-2-propan-2-yloxybenzene-1,4-diamine
CID 83005121
4-chloro-N-[(2-chloro-4-fluorophenyl)methyl]aniline
CID 30051350
4-chloro-N-[(2-fluoro-5-methylphenyl)methyl]aniline
CID 114053753
1-(3,4-difluorophenyl)-N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43680952
N-[(2,5-difluorophenyl)methyl]-6-methoxypyridin-3-amine
CID 43312508

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-4-propan-2-ylaniline?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-4-propan-2-ylaniline (CID 43312594) is N-[(2,5-difluorophenyl)methyl]-4-propan-2-ylaniline.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-4-propan-2-ylaniline?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-4-propan-2-ylaniline is CC(C)c1ccc(NCc2cc(F)ccc2F)cc1.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-4-propan-2-ylaniline?
The InChIKey is WVMNIOPFGBTKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N/c1-11(2)12-3-6-15(7-4-12)19-10-13-9-14(17)5-8-16(13)18/h3-9,11,19H,10H2,1-2H3.
What are the key properties of N-[(2,5-difluorophenyl)methyl]-4-propan-2-ylaniline?
N-[(2,5-difluorophenyl)methyl]-4-propan-2-ylaniline has a molecular weight of 261.31 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]-4-propan-2-ylaniline is sourced from PubChem (CID 43312594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).