N-[(2-fluorophenyl)methyl]-4-propan-2-ylaniline

C16H18FN — CID 28551331

IUPACN-[(2-fluorophenyl)methyl]-4-propan-2-ylaniline
SMILESCC(C)c1ccc(NCc2ccccc2F)cc1
InChIInChI=1S/C16H18FN/c1-12(2)13-7-9-15(10-8-13)18-11-14-5-3-4-6-16(14)17/h3-10,12,18H,11H2,1-2H3
InChIKeyLUJFYYPOIIHTAU-UHFFFAOYSA-N
MW243.32 g/mol
LogP4.56
Rot. Bonds4

About N-[(2-fluorophenyl)methyl]-4-propan-2-ylaniline

N-[(2-fluorophenyl)methyl]-4-propan-2-ylaniline (PubChem CID 28551331) has the molecular formula C16H18FN and a molecular weight of 243.32 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-4-propan-2-ylaniline.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-4-propan-2-ylaniline
PubChem CID28551331
Molecular FormulaC16H18FN
Molecular Weight243.32 g/mol
Exact Mass243.14
IUPAC NameN-[(2-fluorophenyl)methyl]-4-propan-2-ylaniline
SMILESCC(C)c1ccc(NCc2ccccc2F)cc1
InChIInChI=1S/C16H18FN/c1-12(2)13-7-9-15(10-8-13)18-11-14-5-3-4-6-16(14)17/h3-10,12,18H,11H2,1-2H3
InChIKeyLUJFYYPOIIHTAU-UHFFFAOYSA-N
XLogP4.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.32
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(2-fluorophenyl)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-[(2,5-difluorophenyl)methyl]-4-propan-2-ylaniline
CID 43312594
N-[2-(2-fluorophenyl)ethyl]-3-(4-propan-2-ylanilino)propanamide
CID 109024697
N-[(2-bromo-4-fluorophenyl)methyl]-4-propan-2-ylaniline
CID 28511745
2-(2-fluorophenyl)-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]acetamide
CID 112997195
6-[(2-fluorophenyl)methylamino]-2-methyl-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109369598
1-[4-[(2-fluorophenyl)methylamino]phenyl]-3-methylurea
CID 43744437
methyl N-[4-[(2-fluorophenyl)methylamino]phenyl]carbamate
CID 43730341
4-propan-2-yl-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 43760581
1-[1-chloro-2-(2-fluorophenyl)ethyl]-4-propan-2-ylbenzene
CID 63434643
2-[4-[(2-fluorophenyl)methylamino]phenyl]acetonitrile
CID 43231833
2-N-[(2-fluorophenyl)methyl]-6-N-(4-propan-2-ylphenyl)pyridine-2,6-dicarboxamide
CID 109097776
(5S)-3-[(2-fluorophenyl)methyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 7595704

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-4-propan-2-ylaniline?
The IUPAC name of N-[(2-fluorophenyl)methyl]-4-propan-2-ylaniline (CID 28551331) is N-[(2-fluorophenyl)methyl]-4-propan-2-ylaniline.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-4-propan-2-ylaniline?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-4-propan-2-ylaniline is CC(C)c1ccc(NCc2ccccc2F)cc1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-4-propan-2-ylaniline?
The InChIKey is LUJFYYPOIIHTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN/c1-12(2)13-7-9-15(10-8-13)18-11-14-5-3-4-6-16(14)17/h3-10,12,18H,11H2,1-2H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-4-propan-2-ylaniline?
N-[(2-fluorophenyl)methyl]-4-propan-2-ylaniline has a molecular weight of 243.32 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-4-propan-2-ylaniline is sourced from PubChem (CID 28551331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).