2-(3-bromoanilino)-1-phenylethanol

C14H14BrNO — CID 60719910

IUPAC2-(3-bromoanilino)-1-phenylethanol
SMILESOC(CNc1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C14H14BrNO/c15-12-7-4-8-13(9-12)16-10-14(17)11-5-2-1-3-6-11/h1-9,14,16-17H,10H2
InChIKeyXFZFCYOFSRLIKY-UHFFFAOYSA-N
MW292.18 g/mol
LogP3.59
Rot. Bonds4

About 2-(3-bromoanilino)-1-phenylethanol

2-(3-bromoanilino)-1-phenylethanol (PubChem CID 60719910) has the molecular formula C14H14BrNO and a molecular weight of 292.18 g/mol. Its IUPAC name is 2-(3-bromoanilino)-1-phenylethanol.

Molecular Properties

Compound Name2-(3-bromoanilino)-1-phenylethanol
PubChem CID60719910
Molecular FormulaC14H14BrNO
Molecular Weight292.18 g/mol
Exact Mass291.03
IUPAC Name2-(3-bromoanilino)-1-phenylethanol
SMILESOC(CNc1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C14H14BrNO/c15-12-7-4-8-13(9-12)16-10-14(17)11-5-2-1-3-6-11/h1-9,14,16-17H,10H2
InChIKeyXFZFCYOFSRLIKY-UHFFFAOYSA-N
XLogP3.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromoanilino)-1-(4-chlorophenyl)ethanol
CID 60724934
2-(3-bromoanilino)-1-(4-methoxyphenyl)ethanol
CID 60898183
3-(3-bromoanilino)-2-phenylpropanoic acid
CID 64567059
(1R)-2-(3-aminoanilino)-1-phenylethanol;hydrochloride
CID 175066549
1-(3-bromophenyl)-2-(3-ethynylanilino)ethanol
CID 60902934
1-(3-bromophenyl)-2-[3-(trifluoromethyl)anilino]ethanol
CID 60897660
2-(3-bromoanilino)-1-(furan-2-yl)ethanol
CID 60898351
(2S)-1-(3-bromoanilino)butan-2-ol
CID 93345591
1-amino-3-(3-bromoanilino)propan-2-ol
CID 15564361
2-(2-amino-4-bromoanilino)-1-phenylethanol
CID 43498872
2-bromo-4-[(2-hydroxy-2-phenylethyl)amino]benzonitrile
CID 107280291
1-(3-bromophenyl)-2-(4-propylanilino)ethanol
CID 60909148

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromoanilino)-1-phenylethanol?
The IUPAC name of 2-(3-bromoanilino)-1-phenylethanol (CID 60719910) is 2-(3-bromoanilino)-1-phenylethanol.
What is the SMILES notation for 2-(3-bromoanilino)-1-phenylethanol?
The canonical SMILES for 2-(3-bromoanilino)-1-phenylethanol is OC(CNc1cccc(Br)c1)c1ccccc1.
What is the InChIKey of 2-(3-bromoanilino)-1-phenylethanol?
The InChIKey is XFZFCYOFSRLIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO/c15-12-7-4-8-13(9-12)16-10-14(17)11-5-2-1-3-6-11/h1-9,14,16-17H,10H2.
What are the key properties of 2-(3-bromoanilino)-1-phenylethanol?
2-(3-bromoanilino)-1-phenylethanol has a molecular weight of 292.18 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromoanilino)-1-phenylethanol is sourced from PubChem (CID 60719910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).