4-fluoro-3-propan-2-ylaniline

C9H12FN — CID 45090554

IUPAC4-fluoro-3-propan-2-ylaniline
SMILESCC(C)c1cc(N)ccc1F
InChIInChI=1S/C9H12FN/c1-6(2)8-5-7(11)3-4-9(8)10/h3-6H,11H2,1-2H3
InChIKeyAEWMVMHKUNCBIR-UHFFFAOYSA-N
MW153.20 g/mol
LogP2.53
Rot. Bonds1

About 4-fluoro-3-propan-2-ylaniline

4-fluoro-3-propan-2-ylaniline (PubChem CID 45090554) has the molecular formula C9H12FN and a molecular weight of 153.20 g/mol. Its IUPAC name is 4-fluoro-3-propan-2-ylaniline.

Molecular Properties

Compound Name4-fluoro-3-propan-2-ylaniline
PubChem CID45090554
Molecular FormulaC9H12FN
Molecular Weight153.20 g/mol
Exact Mass153.10
IUPAC Name4-fluoro-3-propan-2-ylaniline
SMILESCC(C)c1cc(N)ccc1F
InChIInChI=1S/C9H12FN/c1-6(2)8-5-7(11)3-4-9(8)10/h3-6H,11H2,1-2H3
InChIKeyAEWMVMHKUNCBIR-UHFFFAOYSA-N
XLogP2.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.20
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(1-aminopentyl)-4-fluoroaniline
CID 55269027
4-[2-(4-amino-2-propan-2-ylphenyl)ethyl]-3-propan-2-ylaniline
CID 22019812
1-fluoro-4-methylsulfanyl-2-propan-2-ylbenzene
CID 164811423
4-ethynyl-3-propan-2-ylaniline
CID 175882802
1-fluoro-4-phenyl-2-propan-2-ylbenzene
CID 134581183
1-(4-fluoro-3-propan-2-ylphenyl)-N-methylmethanamine
CID 63887333
4-(2-methylhydrazinyl)-3-propan-2-ylaniline
CID 170119956
1,3-difluoro-2-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene
CID 160709728
3-(4-fluoro-3-propan-2-ylphenoxy)cyclobutan-1-amine
CID 165144232
ethane;4-fluoro-3-methylaniline
CID 142250330
4-fluoro-5-methyl-2-propan-2-ylaniline
CID 126643926
3-[4-(5-amino-2-propan-2-ylphenyl)phenyl]-4-propan-2-ylaniline
CID 23166060

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-propan-2-ylaniline?
The IUPAC name of 4-fluoro-3-propan-2-ylaniline (CID 45090554) is 4-fluoro-3-propan-2-ylaniline.
What is the SMILES notation for 4-fluoro-3-propan-2-ylaniline?
The canonical SMILES for 4-fluoro-3-propan-2-ylaniline is CC(C)c1cc(N)ccc1F.
What is the InChIKey of 4-fluoro-3-propan-2-ylaniline?
The InChIKey is AEWMVMHKUNCBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN/c1-6(2)8-5-7(11)3-4-9(8)10/h3-6H,11H2,1-2H3.
What are the key properties of 4-fluoro-3-propan-2-ylaniline?
4-fluoro-3-propan-2-ylaniline has a molecular weight of 153.20 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-propan-2-ylaniline is sourced from PubChem (CID 45090554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).