3-fluoro-4-methoxy-N-prop-2-enylaniline

C10H12FNO — CID 62141069

IUPAC3-fluoro-4-methoxy-N-prop-2-enylaniline
SMILESC=CCNc1ccc(OC)c(F)c1
InChIInChI=1S/C10H12FNO/c1-3-6-12-8-4-5-10(13-2)9(11)7-8/h3-5,7,12H,1,6H2,2H3
InChIKeyMIWMZAFMDNPYIU-UHFFFAOYSA-N
MW181.21 g/mol
LogP2.43
Rot. Bonds4

About 3-fluoro-4-methoxy-N-prop-2-enylaniline

3-fluoro-4-methoxy-N-prop-2-enylaniline (PubChem CID 62141069) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-prop-2-enylaniline.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-prop-2-enylaniline
PubChem CID62141069
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name3-fluoro-4-methoxy-N-prop-2-enylaniline
SMILESC=CCNc1ccc(OC)c(F)c1
InChIInChI=1S/C10H12FNO/c1-3-6-12-8-4-5-10(13-2)9(11)7-8/h3-5,7,12H,1,6H2,2H3
InChIKeyMIWMZAFMDNPYIU-UHFFFAOYSA-N
XLogP2.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-3-methyl-N-prop-2-enylaniline
CID 62140319
3-fluoro-4-methoxy-N-(2-methoxyethyl)aniline
CID 43380738
methyl (Z)-2-ethyl-4-(3-fluoro-4-methoxyanilino)but-2-enoate
CID 103237879
3-fluoro-4-methoxy-N-methylaniline
CID 21307269
N-decyl-3-fluoro-4-methoxyaniline
CID 63489598
4-(3-fluoro-4-methoxyanilino)-2,2-dimethylbutanenitrile
CID 65248990
4-fluoro-5-methoxy-1-N-prop-2-enylbenzene-1,2-diamine
CID 63599083
3-fluoro-4-methoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline
CID 43663743
3,4-dimethoxy-N-[4-(prop-2-enylamino)phenyl]benzamide
CID 112980100
(E)-4-(3-fluoro-4-methoxyanilino)-3-methylbut-2-enoic acid
CID 103237877
3,4-dimethoxy-N-[4-(prop-2-enylamino)phenyl]benzenesulfonamide
CID 112980172
methyl 4-(3-fluoro-4-methoxyanilino)butanoate
CID 43380727

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-prop-2-enylaniline?
The IUPAC name of 3-fluoro-4-methoxy-N-prop-2-enylaniline (CID 62141069) is 3-fluoro-4-methoxy-N-prop-2-enylaniline.
What is the SMILES notation for 3-fluoro-4-methoxy-N-prop-2-enylaniline?
The canonical SMILES for 3-fluoro-4-methoxy-N-prop-2-enylaniline is C=CCNc1ccc(OC)c(F)c1.
What is the InChIKey of 3-fluoro-4-methoxy-N-prop-2-enylaniline?
The InChIKey is MIWMZAFMDNPYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c1-3-6-12-8-4-5-10(13-2)9(11)7-8/h3-5,7,12H,1,6H2,2H3.
What are the key properties of 3-fluoro-4-methoxy-N-prop-2-enylaniline?
3-fluoro-4-methoxy-N-prop-2-enylaniline has a molecular weight of 181.21 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-prop-2-enylaniline is sourced from PubChem (CID 62141069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).