3-fluoro-N,5-di(propan-2-yl)aniline

C12H18FN — CID 130224455

IUPAC3-fluoro-N,5-di(propan-2-yl)aniline
SMILESCC(C)Nc1cc(F)cc(C(C)C)c1
InChIInChI=1S/C12H18FN/c1-8(2)10-5-11(13)7-12(6-10)14-9(3)4/h5-9,14H,1-4H3
InChIKeyHESOICALYSLXKY-UHFFFAOYSA-N
MW195.28 g/mol
LogP3.77
Rot. Bonds3

About 3-fluoro-N,5-di(propan-2-yl)aniline

3-fluoro-N,5-di(propan-2-yl)aniline (PubChem CID 130224455) has the molecular formula C12H18FN and a molecular weight of 195.28 g/mol. Its IUPAC name is 3-fluoro-N,5-di(propan-2-yl)aniline.

Molecular Properties

Compound Name3-fluoro-N,5-di(propan-2-yl)aniline
PubChem CID130224455
Molecular FormulaC12H18FN
Molecular Weight195.28 g/mol
Exact Mass195.14
IUPAC Name3-fluoro-N,5-di(propan-2-yl)aniline
SMILESCC(C)Nc1cc(F)cc(C(C)C)c1
InChIInChI=1S/C12H18FN/c1-8(2)10-5-11(13)7-12(6-10)14-9(3)4/h5-9,14H,1-4H3
InChIKeyHESOICALYSLXKY-UHFFFAOYSA-N
XLogP3.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-fluoro-N,5-di(propan-2-yl)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

N-(3-fluoro-5-propan-2-ylphenyl)acetamide
CID 139423265
1-(difluoromethyl)-3-fluoro-5-propan-2-ylbenzene
CID 118404669
3-fluoro-N-propan-2-yl-5-pyrrolidin-1-ylaniline
CID 115885020
4-fluoro-N-propan-2-yl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-amine
CID 169440641
3,5-difluoro-N-(1-phenylethyl)aniline
CID 43195985
N-butan-2-yl-3,5-difluoroaniline
CID 43196032
2-(3-fluoro-5-propan-2-ylphenyl)propanenitrile
CID 84771980
(3-fluoro-5-propan-2-ylphenyl)methanol
CID 59192640
N-[(1R)-1-(3,5-difluorophenyl)ethyl]propan-2-amine
CID 97051252
N-[1-(4-chlorophenyl)ethyl]-3,5-difluoroaniline
CID 43106541
methyl 3-fluoro-5-propan-2-ylbenzoate
CID 103186417
3,5-dichloro-N-propan-2-ylaniline
CID 2758170

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N,5-di(propan-2-yl)aniline?
The IUPAC name of 3-fluoro-N,5-di(propan-2-yl)aniline (CID 130224455) is 3-fluoro-N,5-di(propan-2-yl)aniline.
What is the SMILES notation for 3-fluoro-N,5-di(propan-2-yl)aniline?
The canonical SMILES for 3-fluoro-N,5-di(propan-2-yl)aniline is CC(C)Nc1cc(F)cc(C(C)C)c1.
What is the InChIKey of 3-fluoro-N,5-di(propan-2-yl)aniline?
The InChIKey is HESOICALYSLXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN/c1-8(2)10-5-11(13)7-12(6-10)14-9(3)4/h5-9,14H,1-4H3.
What are the key properties of 3-fluoro-N,5-di(propan-2-yl)aniline?
3-fluoro-N,5-di(propan-2-yl)aniline has a molecular weight of 195.28 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N,5-di(propan-2-yl)aniline is sourced from PubChem (CID 130224455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).