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

C19H20FNO — CID 91272919

IUPAC2-cyclobutyl-1-(4-fluorophenyl)-N-phenylmethoxyethenamine
SMILESFc1ccc(C(=CC2CCC2)NOCc2ccccc2)cc1
InChIInChI=1S/C19H20FNO/c20-18-11-9-17(10-12-18)19(13-15-7-4-8-15)21-22-14-16-5-2-1-3-6-16/h1-3,5-6,9-13,15,21H,4,7-8,14H2
InChIKeyKVSIXGCKSBAHHZ-UHFFFAOYSA-N
MW297.37 g/mol
LogP4.69
Rot. Bonds6

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

2-cyclobutyl-1-(4-fluorophenyl)-N-phenylmethoxyethenamine (PubChem CID 91272919) has the molecular formula C19H20FNO and a molecular weight of 297.37 g/mol. Its IUPAC name is 2-cyclobutyl-1-(4-fluorophenyl)-N-phenylmethoxyethenamine.

Molecular Properties

Compound Name2-cyclobutyl-1-(4-fluorophenyl)-N-phenylmethoxyethenamine
PubChem CID91272919
Molecular FormulaC19H20FNO
Molecular Weight297.37 g/mol
Exact Mass297.15
IUPAC Name2-cyclobutyl-1-(4-fluorophenyl)-N-phenylmethoxyethenamine
SMILESFc1ccc(C(=CC2CCC2)NOCc2ccccc2)cc1
InChIInChI=1S/C19H20FNO/c20-18-11-9-17(10-12-18)19(13-15-7-4-8-15)21-22-14-16-5-2-1-3-6-16/h1-3,5-6,9-13,15,21H,4,7-8,14H2
InChIKeyKVSIXGCKSBAHHZ-UHFFFAOYSA-N
XLogP4.69
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 ≤ 54.69
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

2-cyclobutyl-N-phenylmethoxyacetamide
CID 103706482
methyl (E)-3-cyclohexyl-2-[(phenylmethoxyamino)methyl]prop-2-enoate
CID 139261982
(2R)-5-oxo-N-phenylmethoxypyrrolidine-2-carboxamide
CID 103648882
3-(4-fluorophenyl)-N-phenylmethoxypyrazolidine-4-carboxamide
CID 74760091
4-(3-methylcyclohexyl)-N-phenylmethoxybenzamide
CID 143807833
benzyl carbamate;N-cyclohexyl-N-(cyclopropylmethyl)-4-fluoroaniline
CID 164539589
1-N,2-N-bis(phenylmethoxy)cyclohexane-1,2-diamine
CID 3839523
benzyl carbamate;cyclohexanecarbaldehyde
CID 142103337
2-cyclopropyl-2-hydroxy-N-phenylmethoxyacetamide
CID 11241500
1-phenylmethoxy-3-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]urea
CID 36969496
N-phenylmethoxy-8-oxabicyclo[3.2.1]octane-3-carboxamide
CID 142647733
benzyl 4-[(4-fluoroanilino)methyl]piperidine-1-carboxylate
CID 170459932

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1-(4-fluorophenyl)-N-phenylmethoxyethenamine?
The IUPAC name of 2-cyclobutyl-1-(4-fluorophenyl)-N-phenylmethoxyethenamine (CID 91272919) is 2-cyclobutyl-1-(4-fluorophenyl)-N-phenylmethoxyethenamine.
What is the SMILES notation for 2-cyclobutyl-1-(4-fluorophenyl)-N-phenylmethoxyethenamine?
The canonical SMILES for 2-cyclobutyl-1-(4-fluorophenyl)-N-phenylmethoxyethenamine is Fc1ccc(C(=CC2CCC2)NOCc2ccccc2)cc1.
What is the InChIKey of 2-cyclobutyl-1-(4-fluorophenyl)-N-phenylmethoxyethenamine?
The InChIKey is KVSIXGCKSBAHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO/c20-18-11-9-17(10-12-18)19(13-15-7-4-8-15)21-22-14-16-5-2-1-3-6-16/h1-3,5-6,9-13,15,21H,4,7-8,14H2.
What are the key properties of 2-cyclobutyl-1-(4-fluorophenyl)-N-phenylmethoxyethenamine?
2-cyclobutyl-1-(4-fluorophenyl)-N-phenylmethoxyethenamine has a molecular weight of 297.37 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1-(4-fluorophenyl)-N-phenylmethoxyethenamine is sourced from PubChem (CID 91272919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).