(1S)-1-[3-bromo-4-(N,2-dimethylanilino)phenyl]ethanol

C16H18BrNO — CID 78940882

IUPAC(1S)-1-[3-bromo-4-(N,2-dimethylanilino)phenyl]ethanol
SMILESCc1ccccc1N(C)c1ccc([C@H](C)O)cc1Br
InChIInChI=1S/C16H18BrNO/c1-11-6-4-5-7-15(11)18(3)16-9-8-13(12(2)19)10-14(16)17/h4-10,12,19H,1-3H3/t12-/m0/s1
InChIKeyQRNSEVBSKQZDCM-LBPRGKRZSA-N
MW320.23 g/mol
LogP4.58
Rot. Bonds3

About (1S)-1-[3-bromo-4-(N,2-dimethylanilino)phenyl]ethanol

(1S)-1-[3-bromo-4-(N,2-dimethylanilino)phenyl]ethanol (PubChem CID 78940882) has the molecular formula C16H18BrNO and a molecular weight of 320.23 g/mol. Its IUPAC name is (1S)-1-[3-bromo-4-(N,2-dimethylanilino)phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[3-bromo-4-(N,2-dimethylanilino)phenyl]ethanol
PubChem CID78940882
Molecular FormulaC16H18BrNO
Molecular Weight320.23 g/mol
Exact Mass319.06
IUPAC Name(1S)-1-[3-bromo-4-(N,2-dimethylanilino)phenyl]ethanol
SMILESCc1ccccc1N(C)c1ccc([C@H](C)O)cc1Br
InChIInChI=1S/C16H18BrNO/c1-11-6-4-5-7-15(11)18(3)16-9-8-13(12(2)19)10-14(16)17/h4-10,12,19H,1-3H3/t12-/m0/s1
InChIKeyQRNSEVBSKQZDCM-LBPRGKRZSA-N
XLogP4.58
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-bromo-4-(N,2-dimethylanilino)phenyl]ethanol
CID 62912702
1-[3-bromo-4-(2-methoxy-N-methylanilino)phenyl]ethanol
CID 62911327
(1R)-1-[3-bromo-4-(N-methylanilino)phenyl]ethanol
CID 63371697
(1S)-1-[3-bromo-4-(N-ethyl-2-methylanilino)phenyl]ethanol
CID 78944645
(1R)-1-[4-[benzyl(methyl)amino]-3-bromophenyl]ethanol
CID 55183003
1-[2-bromo-4-[(1R)-1-hydroxyethyl]-N-methylanilino]propan-2-ol
CID 63371869
(1R)-1-[3-bromo-4-[methyl(2-phenylethyl)amino]phenyl]ethanol
CID 65485907
2-[2-bromo-4-[(1S)-1-hydroxyethyl]-N-methylanilino]propan-1-ol
CID 104552647
(1S)-1-[3-bromo-4-[1-(2-fluorophenyl)ethyl-methylamino]phenyl]ethanol
CID 78938511
(1S)-1-[3-bromo-4-(diethylamino)phenyl]ethanol
CID 78939147
(1R)-1-[3-bromo-4-[cyclopentyl(methyl)amino]phenyl]ethanol
CID 63370691
(1R)-1-[3-bromo-4-(N-ethylanilino)phenyl]ethanol
CID 55185186

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-bromo-4-(N,2-dimethylanilino)phenyl]ethanol?
The IUPAC name of (1S)-1-[3-bromo-4-(N,2-dimethylanilino)phenyl]ethanol (CID 78940882) is (1S)-1-[3-bromo-4-(N,2-dimethylanilino)phenyl]ethanol.
What is the SMILES notation for (1S)-1-[3-bromo-4-(N,2-dimethylanilino)phenyl]ethanol?
The canonical SMILES for (1S)-1-[3-bromo-4-(N,2-dimethylanilino)phenyl]ethanol is Cc1ccccc1N(C)c1ccc([C@H](C)O)cc1Br.
What is the InChIKey of (1S)-1-[3-bromo-4-(N,2-dimethylanilino)phenyl]ethanol?
The InChIKey is QRNSEVBSKQZDCM-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H18BrNO/c1-11-6-4-5-7-15(11)18(3)16-9-8-13(12(2)19)10-14(16)17/h4-10,12,19H,1-3H3/t12-/m0/s1.
What are the key properties of (1S)-1-[3-bromo-4-(N,2-dimethylanilino)phenyl]ethanol?
(1S)-1-[3-bromo-4-(N,2-dimethylanilino)phenyl]ethanol has a molecular weight of 320.23 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-bromo-4-(N,2-dimethylanilino)phenyl]ethanol is sourced from PubChem (CID 78940882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).