2-fluoro-4-(3-propoxyphenyl)aniline

C15H16FNO — CID 66997209

IUPAC2-fluoro-4-(3-propoxyphenyl)aniline
SMILESCCCOc1cccc(-c2ccc(N)c(F)c2)c1
InChIInChI=1S/C15H16FNO/c1-2-8-18-13-5-3-4-11(9-13)12-6-7-15(17)14(16)10-12/h3-7,9-10H,2,8,17H2,1H3
InChIKeyLCFFYKDHTVZPMT-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.86
Rot. Bonds4

About 2-fluoro-4-(3-propoxyphenyl)aniline

2-fluoro-4-(3-propoxyphenyl)aniline (PubChem CID 66997209) has the molecular formula C15H16FNO and a molecular weight of 245.30 g/mol. Its IUPAC name is 2-fluoro-4-(3-propoxyphenyl)aniline.

Molecular Properties

Compound Name2-fluoro-4-(3-propoxyphenyl)aniline
PubChem CID66997209
Molecular FormulaC15H16FNO
Molecular Weight245.30 g/mol
Exact Mass245.12
IUPAC Name2-fluoro-4-(3-propoxyphenyl)aniline
SMILESCCCOc1cccc(-c2ccc(N)c(F)c2)c1
InChIInChI=1S/C15H16FNO/c1-2-8-18-13-5-3-4-11(9-13)12-6-7-15(17)14(16)10-12/h3-7,9-10H,2,8,17H2,1H3
InChIKeyLCFFYKDHTVZPMT-UHFFFAOYSA-N
XLogP3.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Dianisidine
CID 8411
o-Dianisidine dihydrochloride
CID 62311
4-Benzyloxyaniline
CID 22860
3-Benzyloxyaniline
CID 92892
Benzenamine, 4-(3-methylphenoxy)-
CID 151352
4-(2-Phenylethoxy)aniline
CID 3026856
2-Benzyloxyaniline
CID 240548
4-Amino-4'-methoxystilbene
CID 5376491
4-Amino-4'-methoxybiphenyl
CID 2759564
o-Dianisidine hydrochloride
CID 12309823
4-(3,4-Dimethoxyphenethyl)aniline
CID 14256024
4-(4-Tert-butylphenoxy)aniline
CID 82498

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(3-propoxyphenyl)aniline?
The IUPAC name of 2-fluoro-4-(3-propoxyphenyl)aniline (CID 66997209) is 2-fluoro-4-(3-propoxyphenyl)aniline.
What is the SMILES notation for 2-fluoro-4-(3-propoxyphenyl)aniline?
The canonical SMILES for 2-fluoro-4-(3-propoxyphenyl)aniline is CCCOc1cccc(-c2ccc(N)c(F)c2)c1.
What is the InChIKey of 2-fluoro-4-(3-propoxyphenyl)aniline?
The InChIKey is LCFFYKDHTVZPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO/c1-2-8-18-13-5-3-4-11(9-13)12-6-7-15(17)14(16)10-12/h3-7,9-10H,2,8,17H2,1H3.
What are the key properties of 2-fluoro-4-(3-propoxyphenyl)aniline?
2-fluoro-4-(3-propoxyphenyl)aniline has a molecular weight of 245.30 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(3-propoxyphenyl)aniline is sourced from PubChem (CID 66997209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).