1-(4-fluoro-2-methoxyphenyl)prop-2-en-1-amine

C10H12FNO — CID 55282422

IUPAC1-(4-fluoro-2-methoxyphenyl)prop-2-en-1-amine
SMILESC=CC(N)c1ccc(F)cc1OC
InChIInChI=1S/C10H12FNO/c1-3-9(12)8-5-4-7(11)6-10(8)13-2/h3-6,9H,1,12H2,2H3
InChIKeyKYIMVFSTWUVHHR-UHFFFAOYSA-N
MW181.21 g/mol
LogP2.02
Rot. Bonds3

About 1-(4-fluoro-2-methoxyphenyl)prop-2-en-1-amine

1-(4-fluoro-2-methoxyphenyl)prop-2-en-1-amine (PubChem CID 55282422) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is 1-(4-fluoro-2-methoxyphenyl)prop-2-en-1-amine.

Molecular Properties

Compound Name1-(4-fluoro-2-methoxyphenyl)prop-2-en-1-amine
PubChem CID55282422
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name1-(4-fluoro-2-methoxyphenyl)prop-2-en-1-amine
SMILESC=CC(N)c1ccc(F)cc1OC
InChIInChI=1S/C10H12FNO/c1-3-9(12)8-5-4-7(11)6-10(8)13-2/h3-6,9H,1,12H2,2H3
InChIKeyKYIMVFSTWUVHHR-UHFFFAOYSA-N
XLogP2.02
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-(2-methoxyphenyl)prop-2-en-1-amine
CID 124509135
1-(2,4-difluorophenyl)prop-2-en-1-amine
CID 55283550
(1S)-1-(2-bromo-5-fluorophenyl)prop-2-en-1-amine;hydrochloride
CID 171222200
(1S)-1-(4-fluoro-2-methoxyphenyl)propan-1-amine
CID 55253804
(1R)-1-(4-fluoro-2-methoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171224876
(1R)-1-(2,5-difluorophenyl)prop-2-en-1-amine
CID 55278051
1-(2,5-difluorophenyl)prop-2-en-1-amine
CID 55282989
(1R)-2,2,3,3,3-pentafluoro-1-(4-fluoro-2-methoxyphenyl)propan-1-amine
CID 171312588
(2R)-2-amino-2-(4-fluoro-2-methoxyphenyl)ethanol;hydrochloride
CID 171224919
(1S,2R)-1-amino-1-(4-fluoro-2-methoxyphenyl)propan-2-ol;hydrochloride
CID 171270199
1-(2,4-dimethylpentan-3-yl)-4-fluoro-2-methoxybenzene
CID 156645255
amino-(5-fluoro-2-methoxyphenyl)methanethiol
CID 116939436

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methoxyphenyl)prop-2-en-1-amine?
The IUPAC name of 1-(4-fluoro-2-methoxyphenyl)prop-2-en-1-amine (CID 55282422) is 1-(4-fluoro-2-methoxyphenyl)prop-2-en-1-amine.
What is the SMILES notation for 1-(4-fluoro-2-methoxyphenyl)prop-2-en-1-amine?
The canonical SMILES for 1-(4-fluoro-2-methoxyphenyl)prop-2-en-1-amine is C=CC(N)c1ccc(F)cc1OC.
What is the InChIKey of 1-(4-fluoro-2-methoxyphenyl)prop-2-en-1-amine?
The InChIKey is KYIMVFSTWUVHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c1-3-9(12)8-5-4-7(11)6-10(8)13-2/h3-6,9H,1,12H2,2H3.
What are the key properties of 1-(4-fluoro-2-methoxyphenyl)prop-2-en-1-amine?
1-(4-fluoro-2-methoxyphenyl)prop-2-en-1-amine has a molecular weight of 181.21 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methoxyphenyl)prop-2-en-1-amine is sourced from PubChem (CID 55282422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).