2-anilino-2-(4-chlorophenyl)-2-cyclopropylethanol

C17H18ClNO — CID 61047502

IUPAC2-anilino-2-(4-chlorophenyl)-2-cyclopropylethanol
SMILESOCC(Nc1ccccc1)(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C17H18ClNO/c18-15-10-8-14(9-11-15)17(12-20,13-6-7-13)19-16-4-2-1-3-5-16/h1-5,8-11,13,19-20H,6-7,12H2
InChIKeyATGYGJIENBKRLH-UHFFFAOYSA-N
MW287.79 g/mol
LogP4.05
Rot. Bonds5

About 2-anilino-2-(4-chlorophenyl)-2-cyclopropylethanol

2-anilino-2-(4-chlorophenyl)-2-cyclopropylethanol (PubChem CID 61047502) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is 2-anilino-2-(4-chlorophenyl)-2-cyclopropylethanol.

Molecular Properties

Compound Name2-anilino-2-(4-chlorophenyl)-2-cyclopropylethanol
PubChem CID61047502
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC Name2-anilino-2-(4-chlorophenyl)-2-cyclopropylethanol
SMILESOCC(Nc1ccccc1)(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C17H18ClNO/c18-15-10-8-14(9-11-15)17(12-20,13-6-7-13)19-16-4-2-1-3-5-16/h1-5,8-11,13,19-20H,6-7,12H2
InChIKeyATGYGJIENBKRLH-UHFFFAOYSA-N
XLogP4.05
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-anilino-2-(4-chlorophenyl)-2-cyclopropylethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-anilino-2-(4-chlorophenyl)-2-cyclopropylethanol?
The IUPAC name of 2-anilino-2-(4-chlorophenyl)-2-cyclopropylethanol (CID 61047502) is 2-anilino-2-(4-chlorophenyl)-2-cyclopropylethanol.
What is the SMILES notation for 2-anilino-2-(4-chlorophenyl)-2-cyclopropylethanol?
The canonical SMILES for 2-anilino-2-(4-chlorophenyl)-2-cyclopropylethanol is OCC(Nc1ccccc1)(c1ccc(Cl)cc1)C1CC1.
What is the InChIKey of 2-anilino-2-(4-chlorophenyl)-2-cyclopropylethanol?
The InChIKey is ATGYGJIENBKRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO/c18-15-10-8-14(9-11-15)17(12-20,13-6-7-13)19-16-4-2-1-3-5-16/h1-5,8-11,13,19-20H,6-7,12H2.
What are the key properties of 2-anilino-2-(4-chlorophenyl)-2-cyclopropylethanol?
2-anilino-2-(4-chlorophenyl)-2-cyclopropylethanol has a molecular weight of 287.79 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-2-(4-chlorophenyl)-2-cyclopropylethanol is sourced from PubChem (CID 61047502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).