2-cyclopropyl-1-(3-fluoro-4-methylphenyl)-N-phenylmethoxyethenamine

C19H20FNO — CID 91090348

IUPAC2-cyclopropyl-1-(3-fluoro-4-methylphenyl)-N-phenylmethoxyethenamine
SMILESCc1ccc(C(=CC2CC2)NOCc2ccccc2)cc1F
InChIInChI=1S/C19H20FNO/c1-14-7-10-17(12-18(14)20)19(11-15-8-9-15)21-22-13-16-5-3-2-4-6-16/h2-7,10-12,15,21H,8-9,13H2,1H3
InChIKeyYLAUZQMSHGQVKJ-UHFFFAOYSA-N
MW297.37 g/mol
LogP4.61
Rot. Bonds6

About 2-cyclopropyl-1-(3-fluoro-4-methylphenyl)-N-phenylmethoxyethenamine

2-cyclopropyl-1-(3-fluoro-4-methylphenyl)-N-phenylmethoxyethenamine (PubChem CID 91090348) has the molecular formula C19H20FNO and a molecular weight of 297.37 g/mol. Its IUPAC name is 2-cyclopropyl-1-(3-fluoro-4-methylphenyl)-N-phenylmethoxyethenamine.

Molecular Properties

Compound Name2-cyclopropyl-1-(3-fluoro-4-methylphenyl)-N-phenylmethoxyethenamine
PubChem CID91090348
Molecular FormulaC19H20FNO
Molecular Weight297.37 g/mol
Exact Mass297.15
IUPAC Name2-cyclopropyl-1-(3-fluoro-4-methylphenyl)-N-phenylmethoxyethenamine
SMILESCc1ccc(C(=CC2CC2)NOCc2ccccc2)cc1F
InChIInChI=1S/C19H20FNO/c1-14-7-10-17(12-18(14)20)19(11-15-8-9-15)21-22-13-16-5-3-2-4-6-16/h2-7,10-12,15,21H,8-9,13H2,1H3
InChIKeyYLAUZQMSHGQVKJ-UHFFFAOYSA-N
XLogP4.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 54.61
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

1-cyclopropylidene-N-[(2-methyl-3-phenylphenyl)methoxy]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 53737594
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
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
1-(4-fluorophenyl)-N-phenylmethoxybut-1-en-1-amine
CID 90954616

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(3-fluoro-4-methylphenyl)-N-phenylmethoxyethenamine?
The IUPAC name of 2-cyclopropyl-1-(3-fluoro-4-methylphenyl)-N-phenylmethoxyethenamine (CID 91090348) is 2-cyclopropyl-1-(3-fluoro-4-methylphenyl)-N-phenylmethoxyethenamine.
What is the SMILES notation for 2-cyclopropyl-1-(3-fluoro-4-methylphenyl)-N-phenylmethoxyethenamine?
The canonical SMILES for 2-cyclopropyl-1-(3-fluoro-4-methylphenyl)-N-phenylmethoxyethenamine is Cc1ccc(C(=CC2CC2)NOCc2ccccc2)cc1F.
What is the InChIKey of 2-cyclopropyl-1-(3-fluoro-4-methylphenyl)-N-phenylmethoxyethenamine?
The InChIKey is YLAUZQMSHGQVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO/c1-14-7-10-17(12-18(14)20)19(11-15-8-9-15)21-22-13-16-5-3-2-4-6-16/h2-7,10-12,15,21H,8-9,13H2,1H3.
What are the key properties of 2-cyclopropyl-1-(3-fluoro-4-methylphenyl)-N-phenylmethoxyethenamine?
2-cyclopropyl-1-(3-fluoro-4-methylphenyl)-N-phenylmethoxyethenamine has a molecular weight of 297.37 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(3-fluoro-4-methylphenyl)-N-phenylmethoxyethenamine is sourced from PubChem (CID 91090348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).