2-(3-bromoanilino)-2-(4-cyclopropylphenyl)ethanol

C17H18BrNO — CID 79979786

IUPAC2-(3-bromoanilino)-2-(4-cyclopropylphenyl)ethanol
SMILESOCC(Nc1cccc(Br)c1)c1ccc(C2CC2)cc1
InChIInChI=1S/C17H18BrNO/c18-15-2-1-3-16(10-15)19-17(11-20)14-8-6-13(7-9-14)12-4-5-12/h1-3,6-10,12,17,19-20H,4-5,11H2
InChIKeyWGVIAKOTFNTIEX-UHFFFAOYSA-N
MW332.24 g/mol
LogP4.47
Rot. Bonds5

About 2-(3-bromoanilino)-2-(4-cyclopropylphenyl)ethanol

2-(3-bromoanilino)-2-(4-cyclopropylphenyl)ethanol (PubChem CID 79979786) has the molecular formula C17H18BrNO and a molecular weight of 332.24 g/mol. Its IUPAC name is 2-(3-bromoanilino)-2-(4-cyclopropylphenyl)ethanol.

Molecular Properties

Compound Name2-(3-bromoanilino)-2-(4-cyclopropylphenyl)ethanol
PubChem CID79979786
Molecular FormulaC17H18BrNO
Molecular Weight332.24 g/mol
Exact Mass331.06
IUPAC Name2-(3-bromoanilino)-2-(4-cyclopropylphenyl)ethanol
SMILESOCC(Nc1cccc(Br)c1)c1ccc(C2CC2)cc1
InChIInChI=1S/C17H18BrNO/c18-15-2-1-3-16(10-15)19-17(11-20)14-8-6-13(7-9-14)12-4-5-12/h1-3,6-10,12,17,19-20H,4-5,11H2
InChIKeyWGVIAKOTFNTIEX-UHFFFAOYSA-N
XLogP4.47
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromoanilino)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 61047867
4-[1-(3-bromoanilino)-2-hydroxyethyl]-2-fluorophenol
CID 107693460
2-(3-bromophenyl)-2-(3-methylanilino)ethanol
CID 61048787
2-(3-bromoanilino)-2-(3-bromo-4-methoxyphenyl)ethanol
CID 61048471
2-(3-bromophenyl)-2-(3-fluoroanilino)ethanol
CID 61048900
2-(3-bromophenyl)-2-(3-chloroanilino)ethanol
CID 61050345
2-(3-bromoanilino)-2-(2,6-dichlorophenyl)ethanol
CID 61049669
2-(4-cyclopropylphenyl)-2-(methylamino)ethanol
CID 79980509
2-(4-bromoanilino)-2-(3-bromophenyl)ethanol
CID 61047660
2-(3-bromoanilino)-2-(5-bromo-2-fluorophenyl)ethanol
CID 61050655
2-(3-bromoanilino)-2-(2-methylphenyl)ethanol
CID 61048065
2-(2-bromoanilino)-2-(3-cyclopropylphenyl)ethanol
CID 79980667

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromoanilino)-2-(4-cyclopropylphenyl)ethanol?
The IUPAC name of 2-(3-bromoanilino)-2-(4-cyclopropylphenyl)ethanol (CID 79979786) is 2-(3-bromoanilino)-2-(4-cyclopropylphenyl)ethanol.
What is the SMILES notation for 2-(3-bromoanilino)-2-(4-cyclopropylphenyl)ethanol?
The canonical SMILES for 2-(3-bromoanilino)-2-(4-cyclopropylphenyl)ethanol is OCC(Nc1cccc(Br)c1)c1ccc(C2CC2)cc1.
What is the InChIKey of 2-(3-bromoanilino)-2-(4-cyclopropylphenyl)ethanol?
The InChIKey is WGVIAKOTFNTIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO/c18-15-2-1-3-16(10-15)19-17(11-20)14-8-6-13(7-9-14)12-4-5-12/h1-3,6-10,12,17,19-20H,4-5,11H2.
What are the key properties of 2-(3-bromoanilino)-2-(4-cyclopropylphenyl)ethanol?
2-(3-bromoanilino)-2-(4-cyclopropylphenyl)ethanol has a molecular weight of 332.24 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromoanilino)-2-(4-cyclopropylphenyl)ethanol is sourced from PubChem (CID 79979786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).