4-fluoro-2-propylaniline

C9H12FN — CID 23348947

IUPAC4-fluoro-2-propylaniline
SMILESCCCc1cc(F)ccc1N
InChIInChI=1S/C9H12FN/c1-2-3-7-6-8(10)4-5-9(7)11/h4-6H,2-3,11H2,1H3
InChIKeyOJLKZKZQYRFWDU-UHFFFAOYSA-N
MW153.20 g/mol
LogP2.36
Rot. Bonds2

About 4-fluoro-2-propylaniline

4-fluoro-2-propylaniline (PubChem CID 23348947) has the molecular formula C9H12FN and a molecular weight of 153.20 g/mol. Its IUPAC name is 4-fluoro-2-propylaniline.

Molecular Properties

Compound Name4-fluoro-2-propylaniline
PubChem CID23348947
Molecular FormulaC9H12FN
Molecular Weight153.20 g/mol
Exact Mass153.10
IUPAC Name4-fluoro-2-propylaniline
SMILESCCCc1cc(F)ccc1N
InChIInChI=1S/C9H12FN/c1-2-3-7-6-8(10)4-5-9(7)11/h4-6H,2-3,11H2,1H3
InChIKeyOJLKZKZQYRFWDU-UHFFFAOYSA-N
XLogP2.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.20
LogP ≤ 52.36
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

4-fluoro-2-heptylaniline
CID 67191637
2-(2-ethylsulfanylethyl)-4-fluoroaniline
CID 70246238
2-(3-aminobutyl)-4-fluoroaniline
CID 105440162
4-fluoro-2-[(4-propylphenoxy)methyl]aniline
CID 62548026
4-fluoro-2-(methoxymethyl)aniline;hydrochloride
CID 75481190
4-fluoro-2,6-dipropylaniline
CID 137443416
4-fluoro-1-iodo-2-propylbenzene
CID 126738396
4-chloro-2-propylaniline
CID 23348961
2-[(dimethylamino)methyl]-4-fluoroaniline
CID 43443724
4-fluoro-2-(octoxymethyl)aniline
CID 43382254
3-(2-amino-5-fluorophenyl)propanoic acid
CID 84658918
4-N-methyl-2-propylbenzene-1,4-diamine
CID 141261485

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-propylaniline?
The IUPAC name of 4-fluoro-2-propylaniline (CID 23348947) is 4-fluoro-2-propylaniline.
What is the SMILES notation for 4-fluoro-2-propylaniline?
The canonical SMILES for 4-fluoro-2-propylaniline is CCCc1cc(F)ccc1N.
What is the InChIKey of 4-fluoro-2-propylaniline?
The InChIKey is OJLKZKZQYRFWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN/c1-2-3-7-6-8(10)4-5-9(7)11/h4-6H,2-3,11H2,1H3.
What are the key properties of 4-fluoro-2-propylaniline?
4-fluoro-2-propylaniline has a molecular weight of 153.20 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-propylaniline is sourced from PubChem (CID 23348947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).