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

C12H16FNO — CID 57284314

IUPAC1-(4-fluorophenyl)-N-methoxypent-1-en-1-amine
SMILESCCCC=C(NOC)c1ccc(F)cc1
InChIInChI=1S/C12H16FNO/c1-3-4-5-12(14-15-2)10-6-8-11(13)9-7-10/h5-9,14H,3-4H2,1-2H3
InChIKeyCCMQORMFKGFDHV-UHFFFAOYSA-N
MW209.26 g/mol
LogP3.12
Rot. Bonds5

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

1-(4-fluorophenyl)-N-methoxypent-1-en-1-amine (PubChem CID 57284314) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-methoxypent-1-en-1-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-methoxypent-1-en-1-amine
PubChem CID57284314
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name1-(4-fluorophenyl)-N-methoxypent-1-en-1-amine
SMILESCCCC=C(NOC)c1ccc(F)cc1
InChIInChI=1S/C12H16FNO/c1-3-4-5-12(14-15-2)10-6-8-11(13)9-7-10/h5-9,14H,3-4H2,1-2H3
InChIKeyCCMQORMFKGFDHV-UHFFFAOYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 53.12
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

Benzyl(methoxy)amine
CID 11815413
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
2,4-Difluoro-N-methoxybenzenemethanamine
CID 21947410
n-(4-Fluorobenzyl)-o-isobutyl-hydroxylamine
CID 21947412
1-(2-Fluorophenyl)-N-methoxymethanamine
CID 21947485
(Z)-1-(4-fluorophenyl)-N-trimethylsilylprop-1-en-1-amine
CID 134932620
1-fluoro-4-[(E)-1-nitroprop-1-enyl]benzene
CID 135078988
(1Z)-1-phenylbuta-1,3-dien-1-amine
CID 10374575

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-methoxypent-1-en-1-amine?
The IUPAC name of 1-(4-fluorophenyl)-N-methoxypent-1-en-1-amine (CID 57284314) is 1-(4-fluorophenyl)-N-methoxypent-1-en-1-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-methoxypent-1-en-1-amine?
The canonical SMILES for 1-(4-fluorophenyl)-N-methoxypent-1-en-1-amine is CCCC=C(NOC)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-methoxypent-1-en-1-amine?
The InChIKey is CCMQORMFKGFDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-3-4-5-12(14-15-2)10-6-8-11(13)9-7-10/h5-9,14H,3-4H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-N-methoxypent-1-en-1-amine?
1-(4-fluorophenyl)-N-methoxypent-1-en-1-amine has a molecular weight of 209.26 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-methoxypent-1-en-1-amine is sourced from PubChem (CID 57284314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).