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

C18H18ClNO — CID 91488896

IUPAC1-(4-chlorophenyl)-2-cyclopropyl-N-phenylmethoxyethenamine
SMILESClc1ccc(C(=CC2CC2)NOCc2ccccc2)cc1
InChIInChI=1S/C18H18ClNO/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
InChIKeyVFVHKVREDCMWSC-UHFFFAOYSA-N
MW299.80 g/mol
LogP4.81
Rot. Bonds6

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

1-(4-chlorophenyl)-2-cyclopropyl-N-phenylmethoxyethenamine (PubChem CID 91488896) has the molecular formula C18H18ClNO and a molecular weight of 299.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-cyclopropyl-N-phenylmethoxyethenamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-cyclopropyl-N-phenylmethoxyethenamine
PubChem CID91488896
Molecular FormulaC18H18ClNO
Molecular Weight299.80 g/mol
Exact Mass299.11
IUPAC Name1-(4-chlorophenyl)-2-cyclopropyl-N-phenylmethoxyethenamine
SMILESClc1ccc(C(=CC2CC2)NOCc2ccccc2)cc1
InChIInChI=1S/C18H18ClNO/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
InChIKeyVFVHKVREDCMWSC-UHFFFAOYSA-N
XLogP4.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 54.81
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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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-cyclopropyl-N-phenylmethoxyethenamine?
The IUPAC name of 1-(4-chlorophenyl)-2-cyclopropyl-N-phenylmethoxyethenamine (CID 91488896) is 1-(4-chlorophenyl)-2-cyclopropyl-N-phenylmethoxyethenamine.
What is the SMILES notation for 1-(4-chlorophenyl)-2-cyclopropyl-N-phenylmethoxyethenamine?
The canonical SMILES for 1-(4-chlorophenyl)-2-cyclopropyl-N-phenylmethoxyethenamine is Clc1ccc(C(=CC2CC2)NOCc2ccccc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-cyclopropyl-N-phenylmethoxyethenamine?
The InChIKey is VFVHKVREDCMWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO/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 1-(4-chlorophenyl)-2-cyclopropyl-N-phenylmethoxyethenamine?
1-(4-chlorophenyl)-2-cyclopropyl-N-phenylmethoxyethenamine has a molecular weight of 299.80 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-cyclopropyl-N-phenylmethoxyethenamine is sourced from PubChem (CID 91488896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).