(1R)-1-[4-[benzyl(methyl)amino]-3-bromophenyl]ethanol

C16H18BrNO — CID 55183003

IUPAC(1R)-1-[4-[benzyl(methyl)amino]-3-bromophenyl]ethanol
SMILESC[C@@H](O)c1ccc(N(C)Cc2ccccc2)c(Br)c1
InChIInChI=1S/C16H18BrNO/c1-12(19)14-8-9-16(15(17)10-14)18(2)11-13-6-4-3-5-7-13/h3-10,12,19H,11H2,1-2H3/t12-/m1/s1
InChIKeyUSQMNSOAPHNHDL-GFCCVEGCSA-N
MW320.23 g/mol
LogP4.14
Rot. Bonds4

About (1R)-1-[4-[benzyl(methyl)amino]-3-bromophenyl]ethanol

(1R)-1-[4-[benzyl(methyl)amino]-3-bromophenyl]ethanol (PubChem CID 55183003) has the molecular formula C16H18BrNO and a molecular weight of 320.23 g/mol. Its IUPAC name is (1R)-1-[4-[benzyl(methyl)amino]-3-bromophenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-[benzyl(methyl)amino]-3-bromophenyl]ethanol
PubChem CID55183003
Molecular FormulaC16H18BrNO
Molecular Weight320.23 g/mol
Exact Mass319.06
IUPAC Name(1R)-1-[4-[benzyl(methyl)amino]-3-bromophenyl]ethanol
SMILESC[C@@H](O)c1ccc(N(C)Cc2ccccc2)c(Br)c1
InChIInChI=1S/C16H18BrNO/c1-12(19)14-8-9-16(15(17)10-14)18(2)11-13-6-4-3-5-7-13/h3-10,12,19H,11H2,1-2H3/t12-/m1/s1
InChIKeyUSQMNSOAPHNHDL-GFCCVEGCSA-N
XLogP4.14
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-[3-bromo-4-[(3-bromophenyl)methyl-methylamino]phenyl]ethanol
CID 78944655
(1R)-1-[3-bromo-4-[methyl(2-phenylethyl)amino]phenyl]ethanol
CID 65485907
1-[3-bromo-4-[methyl(pyridin-4-ylmethyl)amino]phenyl]ethanol
CID 62908856
(1R)-1-[4-[benzyl(propan-2-yl)amino]-3-bromophenyl]ethanol
CID 63540623
1-[4-[benzyl(ethyl)amino]-3-bromophenyl]ethanol
CID 62909702
N-benzyl-2-bromo-N-methyl-4-[1-(methylamino)ethyl]aniline
CID 62907620
1-[3-bromo-4-[(5-bromothiophen-3-yl)methyl-methylamino]phenyl]ethanol
CID 55130341
(1S)-1-[3-bromo-4-[(2-chlorophenyl)methyl-methylamino]phenyl]ethanol
CID 78944634
1-[3-bromo-4-[furan-3-ylmethyl(methyl)amino]phenyl]ethanol
CID 62909222
1-[2-bromo-4-[(1R)-1-hydroxyethyl]-N-methylanilino]propan-2-ol
CID 63371869
(1R)-1-[3-bromo-4-[methyl(pyridin-2-ylmethyl)amino]phenyl]ethanol
CID 55183198
(1S)-1-[3-bromo-4-[methyl(thiophen-2-ylmethyl)amino]phenyl]ethanol
CID 78939692

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-[benzyl(methyl)amino]-3-bromophenyl]ethanol?
The IUPAC name of (1R)-1-[4-[benzyl(methyl)amino]-3-bromophenyl]ethanol (CID 55183003) is (1R)-1-[4-[benzyl(methyl)amino]-3-bromophenyl]ethanol.
What is the SMILES notation for (1R)-1-[4-[benzyl(methyl)amino]-3-bromophenyl]ethanol?
The canonical SMILES for (1R)-1-[4-[benzyl(methyl)amino]-3-bromophenyl]ethanol is C[C@@H](O)c1ccc(N(C)Cc2ccccc2)c(Br)c1.
What is the InChIKey of (1R)-1-[4-[benzyl(methyl)amino]-3-bromophenyl]ethanol?
The InChIKey is USQMNSOAPHNHDL-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H18BrNO/c1-12(19)14-8-9-16(15(17)10-14)18(2)11-13-6-4-3-5-7-13/h3-10,12,19H,11H2,1-2H3/t12-/m1/s1.
What are the key properties of (1R)-1-[4-[benzyl(methyl)amino]-3-bromophenyl]ethanol?
(1R)-1-[4-[benzyl(methyl)amino]-3-bromophenyl]ethanol has a molecular weight of 320.23 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-[benzyl(methyl)amino]-3-bromophenyl]ethanol is sourced from PubChem (CID 55183003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).