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

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Related Compounds

2-(4-chlorophenyl)-2-cyclopropyl-2-(3-methylanilino)ethanol
CID 61048389
2-(4-chlorophenyl)-2-cyclopropyl-2-(3-fluoroanilino)ethanol
CID 61049500
1-(4-chlorophenyl)-1-cyclopropylethane-1,2-diol
CID 82713245
2-(4-chlorophenyl)-2-cyclopropyl-2-[2-(diethylamino)ethylamino]ethanol
CID 61047828
3-(4-chlorophenyl)-3-cyclopropyl-2,2-difluoro-3-hydroxypropanoic acid
CID 62396854
2-(4-chloroanilino)-2-(3,4-dimethylphenyl)propan-1-ol
CID 61049896
2-anilino-2-ethylbutan-1-ol
CID 61046791
(1R)-1-cyclopentyl-1-phenylethane-1,2-diol;ethane
CID 142373793
2-(4-chlorophenyl)-2-cyclopropyl-2-(cyclopropylmethylamino)acetic acid
CID 61002443
2-anilino-2-(3-chloro-4-fluorophenyl)propanoic acid
CID 60991913
2-(1,3-benzodioxol-5-yl)-2-(4-chloroanilino)propan-1-ol
CID 61048114
2-(2-chloroanilino)-2-(4-chlorophenyl)propan-1-ol
CID 61050132

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).