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

C18H20FNO — CID 91145559

IUPAC1-(4-fluorophenyl)-N-phenylmethoxypent-1-en-1-amine
SMILESCCCC=C(NOCc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C18H20FNO/c1-2-3-9-18(16-10-12-17(19)13-11-16)20-21-14-15-7-5-4-6-8-15/h4-13,20H,2-3,14H2,1H3
InChIKeyXYMJMGMGYKNZBQ-UHFFFAOYSA-N
MW285.36 g/mol
LogP4.69
Rot. Bonds7

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

1-(4-fluorophenyl)-N-phenylmethoxypent-1-en-1-amine (PubChem CID 91145559) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-phenylmethoxypent-1-en-1-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-phenylmethoxypent-1-en-1-amine
PubChem CID91145559
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name1-(4-fluorophenyl)-N-phenylmethoxypent-1-en-1-amine
SMILESCCCC=C(NOCc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C18H20FNO/c1-2-3-9-18(16-10-12-17(19)13-11-16)20-21-14-15-7-5-4-6-8-15/h4-13,20H,2-3,14H2,1H3
InChIKeyXYMJMGMGYKNZBQ-UHFFFAOYSA-N
XLogP4.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 54.69
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 15261429
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N,O-Dibenzylhydroxylamine
CID 11063773
Benzyloxyaniline
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1-cyclopropylidene-1-(4-fluorophenyl)-N-[(2-methyl-3-phenylphenyl)methoxy]methanamine
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CID 56982800
2-(4-fluorophenyl)-N-methoxy-1-phenylethenamine
CID 56985679
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CID 57034862
1-(4-fluorophenyl)-N-methoxy-2-phenylethenamine
CID 57083862
1-[3,5-bis(trifluoromethyl)phenyl]-N-phenylmethoxyethenamine
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CID 57249872

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-phenylmethoxypent-1-en-1-amine?
The IUPAC name of 1-(4-fluorophenyl)-N-phenylmethoxypent-1-en-1-amine (CID 91145559) is 1-(4-fluorophenyl)-N-phenylmethoxypent-1-en-1-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-phenylmethoxypent-1-en-1-amine?
The canonical SMILES for 1-(4-fluorophenyl)-N-phenylmethoxypent-1-en-1-amine is CCCC=C(NOCc1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-phenylmethoxypent-1-en-1-amine?
The InChIKey is XYMJMGMGYKNZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c1-2-3-9-18(16-10-12-17(19)13-11-16)20-21-14-15-7-5-4-6-8-15/h4-13,20H,2-3,14H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-N-phenylmethoxypent-1-en-1-amine?
1-(4-fluorophenyl)-N-phenylmethoxypent-1-en-1-amine has a molecular weight of 285.36 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-phenylmethoxypent-1-en-1-amine is sourced from PubChem (CID 91145559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).