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

C14H13Br2NO — CID 61047660

IUPAC2-(4-bromoanilino)-2-(3-bromophenyl)ethanol
SMILESOCC(Nc1ccc(Br)cc1)c1cccc(Br)c1
InChIInChI=1S/C14H13Br2NO/c15-11-4-6-13(7-5-11)17-14(9-18)10-2-1-3-12(16)8-10/h1-8,14,17-18H,9H2
InChIKeyNLCNYLGMLHWJEK-UHFFFAOYSA-N
MW371.07 g/mol
LogP4.36
Rot. Bonds4

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

2-(4-bromoanilino)-2-(3-bromophenyl)ethanol (PubChem CID 61047660) has the molecular formula C14H13Br2NO and a molecular weight of 371.07 g/mol. Its IUPAC name is 2-(4-bromoanilino)-2-(3-bromophenyl)ethanol.

Molecular Properties

Compound Name2-(4-bromoanilino)-2-(3-bromophenyl)ethanol
PubChem CID61047660
Molecular FormulaC14H13Br2NO
Molecular Weight371.07 g/mol
Exact Mass368.94
IUPAC Name2-(4-bromoanilino)-2-(3-bromophenyl)ethanol
SMILESOCC(Nc1ccc(Br)cc1)c1cccc(Br)c1
InChIInChI=1S/C14H13Br2NO/c15-11-4-6-13(7-5-11)17-14(9-18)10-2-1-3-12(16)8-10/h1-8,14,17-18H,9H2
InChIKeyNLCNYLGMLHWJEK-UHFFFAOYSA-N
XLogP4.36
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.07
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)-2-(3-methylanilino)ethanol
CID 61048787
2-(3-bromophenyl)-2-(3-fluoroanilino)ethanol
CID 61048900
2-(3-bromophenyl)-2-(3-chloroanilino)ethanol
CID 61050345
2-(4-bromoanilino)-2-(3-bromo-4-fluorophenyl)ethanol
CID 61049859
2-(3-bromophenyl)-2-(2-methylanilino)ethanol
CID 61045334
4-bromo-N-[1-(3-chlorophenyl)propyl]aniline
CID 43101702
N-[1-(3-bromophenyl)propyl]-4-propan-2-ylaniline
CID 43760579
2-(3-bromophenyl)-2-(pentan-3-ylamino)ethanol
CID 115894663
4-[1-(3-bromoanilino)-2-hydroxyethyl]-2-fluorophenol
CID 107693460
2-(3-methylanilino)-2-(3-methylphenyl)ethanol
CID 61050180
N-[1-(3-bromophenyl)propyl]-4-methoxyaniline
CID 43766009
2-(3-bromoanilino)-2-(3-bromo-4-methoxyphenyl)ethanol
CID 61048471

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromoanilino)-2-(3-bromophenyl)ethanol?
The IUPAC name of 2-(4-bromoanilino)-2-(3-bromophenyl)ethanol (CID 61047660) is 2-(4-bromoanilino)-2-(3-bromophenyl)ethanol.
What is the SMILES notation for 2-(4-bromoanilino)-2-(3-bromophenyl)ethanol?
The canonical SMILES for 2-(4-bromoanilino)-2-(3-bromophenyl)ethanol is OCC(Nc1ccc(Br)cc1)c1cccc(Br)c1.
What is the InChIKey of 2-(4-bromoanilino)-2-(3-bromophenyl)ethanol?
The InChIKey is NLCNYLGMLHWJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2NO/c15-11-4-6-13(7-5-11)17-14(9-18)10-2-1-3-12(16)8-10/h1-8,14,17-18H,9H2.
What are the key properties of 2-(4-bromoanilino)-2-(3-bromophenyl)ethanol?
2-(4-bromoanilino)-2-(3-bromophenyl)ethanol has a molecular weight of 371.07 g/mol, XLogP of 4.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromoanilino)-2-(3-bromophenyl)ethanol is sourced from PubChem (CID 61047660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).