(1R)-1-[3-bromo-4-(N-methylanilino)phenyl]ethanol

C15H16BrNO — CID 63371697

IUPAC(1R)-1-[3-bromo-4-(N-methylanilino)phenyl]ethanol
SMILESC[C@@H](O)c1ccc(N(C)c2ccccc2)c(Br)c1
InChIInChI=1S/C15H16BrNO/c1-11(18)12-8-9-15(14(16)10-12)17(2)13-6-4-3-5-7-13/h3-11,18H,1-2H3/t11-/m1/s1
InChIKeyCIMFBBIRDCDQIR-LLVKDONJSA-N
MW306.20 g/mol
LogP4.27
Rot. Bonds3

About (1R)-1-[3-bromo-4-(N-methylanilino)phenyl]ethanol

(1R)-1-[3-bromo-4-(N-methylanilino)phenyl]ethanol (PubChem CID 63371697) has the molecular formula C15H16BrNO and a molecular weight of 306.20 g/mol. Its IUPAC name is (1R)-1-[3-bromo-4-(N-methylanilino)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[3-bromo-4-(N-methylanilino)phenyl]ethanol
PubChem CID63371697
Molecular FormulaC15H16BrNO
Molecular Weight306.20 g/mol
Exact Mass305.04
IUPAC Name(1R)-1-[3-bromo-4-(N-methylanilino)phenyl]ethanol
SMILESC[C@@H](O)c1ccc(N(C)c2ccccc2)c(Br)c1
InChIInChI=1S/C15H16BrNO/c1-11(18)12-8-9-15(14(16)10-12)17(2)13-6-4-3-5-7-13/h3-11,18H,1-2H3/t11-/m1/s1
InChIKeyCIMFBBIRDCDQIR-LLVKDONJSA-N
XLogP4.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1S)-1-aminoethyl]-2-bromo-N-methyl-N-phenylaniline
CID 63368025
4-[(1R)-1-aminoethyl]-2-bromo-N-methyl-N-phenylaniline
CID 78936182
(1S)-1-[3-bromo-4-(N,2-dimethylanilino)phenyl]ethanol
CID 78940882
1-[3-bromo-4-(N,2-dimethylanilino)phenyl]ethanol
CID 62912702
(1R)-1-[3-bromo-4-(N-ethylanilino)phenyl]ethanol
CID 55185186
1-[3-bromo-4-(2-methoxy-N-methylanilino)phenyl]ethanol
CID 62911327
(1R)-1-[4-[benzyl(methyl)amino]-3-bromophenyl]ethanol
CID 55183003
(1R)-1-[3-bromo-4-[methyl(2-phenylethyl)amino]phenyl]ethanol
CID 65485907
1-[4-[benzyl(ethyl)amino]-3-bromophenyl]ethanol
CID 62909702
(1R)-1-[3-bromo-4-[cyclopentyl(methyl)amino]phenyl]ethanol
CID 63370691
3-(N-[2-bromo-4-(1-hydroxyethyl)phenyl]anilino)propanenitrile
CID 62910033
1-[2-bromo-4-[(1R)-1-hydroxyethyl]-N-methylanilino]propan-2-ol
CID 63371869

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-bromo-4-(N-methylanilino)phenyl]ethanol?
The IUPAC name of (1R)-1-[3-bromo-4-(N-methylanilino)phenyl]ethanol (CID 63371697) is (1R)-1-[3-bromo-4-(N-methylanilino)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[3-bromo-4-(N-methylanilino)phenyl]ethanol?
The canonical SMILES for (1R)-1-[3-bromo-4-(N-methylanilino)phenyl]ethanol is C[C@@H](O)c1ccc(N(C)c2ccccc2)c(Br)c1.
What is the InChIKey of (1R)-1-[3-bromo-4-(N-methylanilino)phenyl]ethanol?
The InChIKey is CIMFBBIRDCDQIR-LLVKDONJSA-N. The full InChI is InChI=1S/C15H16BrNO/c1-11(18)12-8-9-15(14(16)10-12)17(2)13-6-4-3-5-7-13/h3-11,18H,1-2H3/t11-/m1/s1.
What are the key properties of (1R)-1-[3-bromo-4-(N-methylanilino)phenyl]ethanol?
(1R)-1-[3-bromo-4-(N-methylanilino)phenyl]ethanol has a molecular weight of 306.20 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-bromo-4-(N-methylanilino)phenyl]ethanol is sourced from PubChem (CID 63371697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).