3-cyclopropyl-1-(4-fluorophenyl)-N-phenylmethoxyprop-1-en-1-amine

C19H20FNO — CID 91012287

IUPAC3-cyclopropyl-1-(4-fluorophenyl)-N-phenylmethoxyprop-1-en-1-amine
SMILESFc1ccc(C(=CCC2CC2)NOCc2ccccc2)cc1
InChIInChI=1S/C19H20FNO/c20-18-11-9-17(10-12-18)19(13-8-15-6-7-15)21-22-14-16-4-2-1-3-5-16/h1-5,9-13,15,21H,6-8,14H2
InChIKeyTZGQDLUZIHECPY-UHFFFAOYSA-N
MW297.37 g/mol
LogP4.69
Rot. Bonds7

About 3-cyclopropyl-1-(4-fluorophenyl)-N-phenylmethoxyprop-1-en-1-amine

3-cyclopropyl-1-(4-fluorophenyl)-N-phenylmethoxyprop-1-en-1-amine (PubChem CID 91012287) has the molecular formula C19H20FNO and a molecular weight of 297.37 g/mol. Its IUPAC name is 3-cyclopropyl-1-(4-fluorophenyl)-N-phenylmethoxyprop-1-en-1-amine.

Molecular Properties

Compound Name3-cyclopropyl-1-(4-fluorophenyl)-N-phenylmethoxyprop-1-en-1-amine
PubChem CID91012287
Molecular FormulaC19H20FNO
Molecular Weight297.37 g/mol
Exact Mass297.15
IUPAC Name3-cyclopropyl-1-(4-fluorophenyl)-N-phenylmethoxyprop-1-en-1-amine
SMILESFc1ccc(C(=CCC2CC2)NOCc2ccccc2)cc1
InChIInChI=1S/C19H20FNO/c20-18-11-9-17(10-12-18)19(13-8-15-6-7-15)21-22-14-16-4-2-1-3-5-16/h1-5,9-13,15,21H,6-8,14H2
InChIKeyTZGQDLUZIHECPY-UHFFFAOYSA-N
XLogP4.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
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

Benzyloxyaniline
CID 12589378
1-cyclopropylidene-1-(4-fluorophenyl)-N-[(2-methyl-3-phenylphenyl)methoxy]methanamine
CID 53912762
1-[3,5-bis(trifluoromethyl)phenyl]-N-phenylmethoxyethenamine
CID 57100784
5-(4-Fluorophenyl)-3-(3-iodophenyl)-2,5-dihydro-1,2-oxazole
CID 57249872
3-fluoro-N-phenylmethoxyaniline
CID 59957349
(2-Fluoro-benzyloxy)-benzylamine
CID 86761305
N-[fluoro(phenyl)methoxy]aniline
CID 87377775
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
1-cyclobutylidene-1-(4-fluorophenyl)-N-phenylmethoxymethanamine
CID 90896555
5-Benzyl-3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole
CID 90911263
1-(3-fluoro-4-methylphenyl)-N-phenylmethoxypent-1-en-1-amine
CID 90926595

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(4-fluorophenyl)-N-phenylmethoxyprop-1-en-1-amine?
The IUPAC name of 3-cyclopropyl-1-(4-fluorophenyl)-N-phenylmethoxyprop-1-en-1-amine (CID 91012287) is 3-cyclopropyl-1-(4-fluorophenyl)-N-phenylmethoxyprop-1-en-1-amine.
What is the SMILES notation for 3-cyclopropyl-1-(4-fluorophenyl)-N-phenylmethoxyprop-1-en-1-amine?
The canonical SMILES for 3-cyclopropyl-1-(4-fluorophenyl)-N-phenylmethoxyprop-1-en-1-amine is Fc1ccc(C(=CCC2CC2)NOCc2ccccc2)cc1.
What is the InChIKey of 3-cyclopropyl-1-(4-fluorophenyl)-N-phenylmethoxyprop-1-en-1-amine?
The InChIKey is TZGQDLUZIHECPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO/c20-18-11-9-17(10-12-18)19(13-8-15-6-7-15)21-22-14-16-4-2-1-3-5-16/h1-5,9-13,15,21H,6-8,14H2.
What are the key properties of 3-cyclopropyl-1-(4-fluorophenyl)-N-phenylmethoxyprop-1-en-1-amine?
3-cyclopropyl-1-(4-fluorophenyl)-N-phenylmethoxyprop-1-en-1-amine has a molecular weight of 297.37 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 3-cyclopropyl-1-(4-fluorophenyl)-N-phenylmethoxyprop-1-en-1-amine is sourced from PubChem (CID 91012287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).