1-(3-fluoro-4-methylphenyl)-N-phenylmethoxypent-1-en-1-amine

C19H22FNO — CID 90926595

IUPAC1-(3-fluoro-4-methylphenyl)-N-phenylmethoxypent-1-en-1-amine
SMILESCCCC=C(NOCc1ccccc1)c1ccc(C)c(F)c1
InChIInChI=1S/C19H22FNO/c1-3-4-10-19(17-12-11-15(2)18(20)13-17)21-22-14-16-8-6-5-7-9-16/h5-13,21H,3-4,14H2,1-2H3
InChIKeyJVPGPKCZYXKIOJ-UHFFFAOYSA-N
MW299.39 g/mol
LogP5.00
Rot. Bonds7

About 1-(3-fluoro-4-methylphenyl)-N-phenylmethoxypent-1-en-1-amine

1-(3-fluoro-4-methylphenyl)-N-phenylmethoxypent-1-en-1-amine (PubChem CID 90926595) has the molecular formula C19H22FNO and a molecular weight of 299.39 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-N-phenylmethoxypent-1-en-1-amine.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-N-phenylmethoxypent-1-en-1-amine
PubChem CID90926595
Molecular FormulaC19H22FNO
Molecular Weight299.39 g/mol
Exact Mass299.17
IUPAC Name1-(3-fluoro-4-methylphenyl)-N-phenylmethoxypent-1-en-1-amine
SMILESCCCC=C(NOCc1ccccc1)c1ccc(C)c(F)c1
InChIInChI=1S/C19H22FNO/c1-3-4-10-19(17-12-11-15(2)18(20)13-17)21-22-14-16-8-6-5-7-9-16/h5-13,21H,3-4,14H2,1-2H3
InChIKeyJVPGPKCZYXKIOJ-UHFFFAOYSA-N
XLogP5.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 55.00
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

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CID 12589378
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5-(4-Fluorophenyl)-3-(3-iodophenyl)-2,5-dihydro-1,2-oxazole
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3-fluoro-N-phenylmethoxyaniline
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1-[3-fluoro-4-(methoxymethyl)phenyl]-N-phenylmethoxybut-1-en-1-amine
CID 90825807
3-(4-Fluorophenyl)-5-(2-phenylethyl)-2,5-dihydro-1,2-oxazole
CID 90865219
5-(3,5-dimethylphenyl)-5-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-2H-1,2-oxazole
CID 90892788
1-cyclobutylidene-1-(4-fluorophenyl)-N-phenylmethoxymethanamine
CID 90896555
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CID 90911263

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-N-phenylmethoxypent-1-en-1-amine?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-N-phenylmethoxypent-1-en-1-amine (CID 90926595) is 1-(3-fluoro-4-methylphenyl)-N-phenylmethoxypent-1-en-1-amine.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-N-phenylmethoxypent-1-en-1-amine?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-N-phenylmethoxypent-1-en-1-amine is CCCC=C(NOCc1ccccc1)c1ccc(C)c(F)c1.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-N-phenylmethoxypent-1-en-1-amine?
The InChIKey is JVPGPKCZYXKIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO/c1-3-4-10-19(17-12-11-15(2)18(20)13-17)21-22-14-16-8-6-5-7-9-16/h5-13,21H,3-4,14H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-methylphenyl)-N-phenylmethoxypent-1-en-1-amine?
1-(3-fluoro-4-methylphenyl)-N-phenylmethoxypent-1-en-1-amine has a molecular weight of 299.39 g/mol, XLogP of 5.00, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylphenyl)-N-phenylmethoxypent-1-en-1-amine is sourced from PubChem (CID 90926595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).