2-(2-bromoanilino)-2-(4-propoxyphenyl)ethanol

C17H20BrNO2 — CID 62497133

IUPAC2-(2-bromoanilino)-2-(4-propoxyphenyl)ethanol
SMILESCCCOc1ccc(C(CO)Nc2ccccc2Br)cc1
InChIInChI=1S/C17H20BrNO2/c1-2-11-21-14-9-7-13(8-10-14)17(12-20)19-16-6-4-3-5-15(16)18/h3-10,17,19-20H,2,11-12H2,1H3
InChIKeyZFGHTUNAWICJGZ-UHFFFAOYSA-N
MW350.26 g/mol
LogP4.38
Rot. Bonds7

About 2-(2-bromoanilino)-2-(4-propoxyphenyl)ethanol

2-(2-bromoanilino)-2-(4-propoxyphenyl)ethanol (PubChem CID 62497133) has the molecular formula C17H20BrNO2 and a molecular weight of 350.26 g/mol. Its IUPAC name is 2-(2-bromoanilino)-2-(4-propoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(2-bromoanilino)-2-(4-propoxyphenyl)ethanol
PubChem CID62497133
Molecular FormulaC17H20BrNO2
Molecular Weight350.26 g/mol
Exact Mass349.07
IUPAC Name2-(2-bromoanilino)-2-(4-propoxyphenyl)ethanol
SMILESCCCOc1ccc(C(CO)Nc2ccccc2Br)cc1
InChIInChI=1S/C17H20BrNO2/c1-2-11-21-14-9-7-13(8-10-14)17(12-20)19-16-6-4-3-5-15(16)18/h3-10,17,19-20H,2,11-12H2,1H3
InChIKeyZFGHTUNAWICJGZ-UHFFFAOYSA-N
XLogP4.38
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2-bromoanilino)-2-phenylethanol
CID 135041919
N-(2-bromophenyl)-1-(4-ethoxyphenyl)ethane-1,2-diamine
CID 65384694
N-(2-bromophenyl)-1-(3-propoxyphenyl)ethane-1,2-diamine
CID 65384260
2-bromo-N-[1-(4-methoxyphenyl)propyl]aniline
CID 43101763
2-(2-fluoroanilino)-2-(3-propoxyphenyl)ethanol
CID 62500445
3-bromo-2-methyl-N-[1-(4-propoxyphenyl)ethyl]aniline
CID 107630254
2-(butan-2-ylamino)-2-(4-propoxyphenyl)ethanol
CID 62496976
N-(2-bromophenyl)-2-(4-propoxyphenoxy)acetamide
CID 42989399
1-[phenyl-(4-propoxyphenyl)methyl]-4-propoxybenzene
CID 91374788
2-(2-bromoanilino)-2-(1-methylpyrazol-4-yl)ethanol
CID 61048451
2-(2-bromoanilino)-2-(3-propoxyphenyl)acetonitrile
CID 62496139
2-methyl-N-[1-(4-propoxyphenyl)ethyl]aniline
CID 43109686

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoanilino)-2-(4-propoxyphenyl)ethanol?
The IUPAC name of 2-(2-bromoanilino)-2-(4-propoxyphenyl)ethanol (CID 62497133) is 2-(2-bromoanilino)-2-(4-propoxyphenyl)ethanol.
What is the SMILES notation for 2-(2-bromoanilino)-2-(4-propoxyphenyl)ethanol?
The canonical SMILES for 2-(2-bromoanilino)-2-(4-propoxyphenyl)ethanol is CCCOc1ccc(C(CO)Nc2ccccc2Br)cc1.
What is the InChIKey of 2-(2-bromoanilino)-2-(4-propoxyphenyl)ethanol?
The InChIKey is ZFGHTUNAWICJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO2/c1-2-11-21-14-9-7-13(8-10-14)17(12-20)19-16-6-4-3-5-15(16)18/h3-10,17,19-20H,2,11-12H2,1H3.
What are the key properties of 2-(2-bromoanilino)-2-(4-propoxyphenyl)ethanol?
2-(2-bromoanilino)-2-(4-propoxyphenyl)ethanol has a molecular weight of 350.26 g/mol, XLogP of 4.38, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoanilino)-2-(4-propoxyphenyl)ethanol is sourced from PubChem (CID 62497133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).