1-(4-fluorophenyl)-N-methoxyprop-1-en-1-amine

C10H12FNO — CID 57266923

IUPAC1-(4-fluorophenyl)-N-methoxyprop-1-en-1-amine
SMILESCC=C(NOC)c1ccc(F)cc1
InChIInChI=1S/C10H12FNO/c1-3-10(12-13-2)8-4-6-9(11)7-5-8/h3-7,12H,1-2H3
InChIKeyZSOKKVJOLVPSME-UHFFFAOYSA-N
MW181.21 g/mol
LogP2.34
Rot. Bonds3

About 1-(4-fluorophenyl)-N-methoxyprop-1-en-1-amine

1-(4-fluorophenyl)-N-methoxyprop-1-en-1-amine (PubChem CID 57266923) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-methoxyprop-1-en-1-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-methoxyprop-1-en-1-amine
PubChem CID57266923
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name1-(4-fluorophenyl)-N-methoxyprop-1-en-1-amine
SMILESCC=C(NOC)c1ccc(F)cc1
InChIInChI=1S/C10H12FNO/c1-3-10(12-13-2)8-4-6-9(11)7-5-8/h3-7,12H,1-2H3
InChIKeyZSOKKVJOLVPSME-UHFFFAOYSA-N
XLogP2.34
TPSA21.26 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 ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-Amino-3-(3-fluorophenyl)acrylonitrile
CID 12540166
Benzyl(methoxy)amine
CID 11815413
Benzyl(ethoxy)amine
CID 18794272
(Z)-3-Amino-3-(4-fluorophenyl)acrylonitrile
CID 12218193
Benzyl(methoxy)amine hydrochloride
CID 71358116
Benzenemethanamine, 3-fluoro-N-methoxy-
CID 12146886
n-(3,4-Difluoro-benzyl)-o-methyl-hydroxylamine
CID 12146889
Ethoxy[(4-fluorophenyl)methyl]amine
CID 12146891
Benzenemethanamine, 4-fluoro-N-methoxy-
CID 12147060
N-[1-(4-fluorophenyl)ethyl]hydroxylamine
CID 13389032
N-[(4-fluorophenyl)methyl]hydroxylamine
CID 14157467
2,4-Difluoro-N-methoxybenzenemethanamine
CID 21947410

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-methoxyprop-1-en-1-amine?
The IUPAC name of 1-(4-fluorophenyl)-N-methoxyprop-1-en-1-amine (CID 57266923) is 1-(4-fluorophenyl)-N-methoxyprop-1-en-1-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-methoxyprop-1-en-1-amine?
The canonical SMILES for 1-(4-fluorophenyl)-N-methoxyprop-1-en-1-amine is CC=C(NOC)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-methoxyprop-1-en-1-amine?
The InChIKey is ZSOKKVJOLVPSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c1-3-10(12-13-2)8-4-6-9(11)7-5-8/h3-7,12H,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-N-methoxyprop-1-en-1-amine?
1-(4-fluorophenyl)-N-methoxyprop-1-en-1-amine has a molecular weight of 181.21 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-methoxyprop-1-en-1-amine is sourced from PubChem (CID 57266923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).