2-cyclopropyl-1-(4-fluorophenyl)-N-phenylmethoxyethenamine

C18H18FNO — CID 91532829

IUPAC2-cyclopropyl-1-(4-fluorophenyl)-N-phenylmethoxyethenamine
SMILESFc1ccc(C(=CC2CC2)NOCc2ccccc2)cc1
InChIInChI=1S/C18H18FNO/c19-17-10-8-16(9-11-17)18(12-14-6-7-14)20-21-13-15-4-2-1-3-5-15/h1-5,8-12,14,20H,6-7,13H2
InChIKeySMIUXFVMZDKOCM-UHFFFAOYSA-N
MW283.35 g/mol
LogP4.30
Rot. Bonds6

About 2-cyclopropyl-1-(4-fluorophenyl)-N-phenylmethoxyethenamine

2-cyclopropyl-1-(4-fluorophenyl)-N-phenylmethoxyethenamine (PubChem CID 91532829) has the molecular formula C18H18FNO and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-cyclopropyl-1-(4-fluorophenyl)-N-phenylmethoxyethenamine.

Molecular Properties

Compound Name2-cyclopropyl-1-(4-fluorophenyl)-N-phenylmethoxyethenamine
PubChem CID91532829
Molecular FormulaC18H18FNO
Molecular Weight283.35 g/mol
Exact Mass283.14
IUPAC Name2-cyclopropyl-1-(4-fluorophenyl)-N-phenylmethoxyethenamine
SMILESFc1ccc(C(=CC2CC2)NOCc2ccccc2)cc1
InChIInChI=1S/C18H18FNO/c19-17-10-8-16(9-11-17)18(12-14-6-7-14)20-21-13-15-4-2-1-3-5-15/h1-5,8-12,14,20H,6-7,13H2
InChIKeySMIUXFVMZDKOCM-UHFFFAOYSA-N
XLogP4.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 54.30
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 2-cyclopropyl-1-(4-fluorophenyl)-N-phenylmethoxyethenamine?
The IUPAC name of 2-cyclopropyl-1-(4-fluorophenyl)-N-phenylmethoxyethenamine (CID 91532829) is 2-cyclopropyl-1-(4-fluorophenyl)-N-phenylmethoxyethenamine.
What is the SMILES notation for 2-cyclopropyl-1-(4-fluorophenyl)-N-phenylmethoxyethenamine?
The canonical SMILES for 2-cyclopropyl-1-(4-fluorophenyl)-N-phenylmethoxyethenamine is Fc1ccc(C(=CC2CC2)NOCc2ccccc2)cc1.
What is the InChIKey of 2-cyclopropyl-1-(4-fluorophenyl)-N-phenylmethoxyethenamine?
The InChIKey is SMIUXFVMZDKOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO/c19-17-10-8-16(9-11-17)18(12-14-6-7-14)20-21-13-15-4-2-1-3-5-15/h1-5,8-12,14,20H,6-7,13H2.
What are the key properties of 2-cyclopropyl-1-(4-fluorophenyl)-N-phenylmethoxyethenamine?
2-cyclopropyl-1-(4-fluorophenyl)-N-phenylmethoxyethenamine has a molecular weight of 283.35 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(4-fluorophenyl)-N-phenylmethoxyethenamine is sourced from PubChem (CID 91532829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).