(1R)-1-[3-bromo-4-[methyl(2-phenylethyl)amino]phenyl]ethanol

C17H20BrNO — CID 65485907

IUPAC(1R)-1-[3-bromo-4-[methyl(2-phenylethyl)amino]phenyl]ethanol
SMILESC[C@@H](O)c1ccc(N(C)CCc2ccccc2)c(Br)c1
InChIInChI=1S/C17H20BrNO/c1-13(20)15-8-9-17(16(18)12-15)19(2)11-10-14-6-4-3-5-7-14/h3-9,12-13,20H,10-11H2,1-2H3/t13-/m1/s1
InChIKeyQTZWEDFYSBNPNB-CYBMUJFWSA-N
MW334.26 g/mol
LogP4.18
Rot. Bonds5

About (1R)-1-[3-bromo-4-[methyl(2-phenylethyl)amino]phenyl]ethanol

(1R)-1-[3-bromo-4-[methyl(2-phenylethyl)amino]phenyl]ethanol (PubChem CID 65485907) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is (1R)-1-[3-bromo-4-[methyl(2-phenylethyl)amino]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[3-bromo-4-[methyl(2-phenylethyl)amino]phenyl]ethanol
PubChem CID65485907
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name(1R)-1-[3-bromo-4-[methyl(2-phenylethyl)amino]phenyl]ethanol
SMILESC[C@@H](O)c1ccc(N(C)CCc2ccccc2)c(Br)c1
InChIInChI=1S/C17H20BrNO/c1-13(20)15-8-9-17(16(18)12-15)19(2)11-10-14-6-4-3-5-7-14/h3-9,12-13,20H,10-11H2,1-2H3/t13-/m1/s1
InChIKeyQTZWEDFYSBNPNB-CYBMUJFWSA-N
XLogP4.18
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.18
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

4-[(1R)-1-aminoethyl]-2-bromo-N-methyl-N-(2-phenylethyl)aniline
CID 79009092
(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
(1S)-1-[3-bromo-4-[(3-bromophenyl)methyl-methylamino]phenyl]ethanol
CID 78944655
(1R)-1-[4-[benzyl(propan-2-yl)amino]-3-bromophenyl]ethanol
CID 63540623
1-[4-[benzyl(ethyl)amino]-3-bromophenyl]ethanol
CID 62909702
(1R)-1-[3-bromo-4-(N-methylanilino)phenyl]ethanol
CID 63371697
(1R)-1-[3-bromo-4-[2,2-dimethylpropyl(methyl)amino]phenyl]ethanol
CID 63372756
3-[2-bromo-4-[(1S)-1-hydroxyethyl]-N-methylanilino]-2-methylpropanenitrile
CID 78940534
(1S)-1-[2-[methyl(2-phenylethyl)amino]phenyl]ethanol
CID 65486288
(1S)-1-[3-bromo-4-[(2-chlorophenyl)methyl-methylamino]phenyl]ethanol
CID 78944634
1-[3-bromo-4-[methyl(pyridin-4-ylmethyl)amino]phenyl]ethanol
CID 62908856

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-bromo-4-[methyl(2-phenylethyl)amino]phenyl]ethanol?
The IUPAC name of (1R)-1-[3-bromo-4-[methyl(2-phenylethyl)amino]phenyl]ethanol (CID 65485907) is (1R)-1-[3-bromo-4-[methyl(2-phenylethyl)amino]phenyl]ethanol.
What is the SMILES notation for (1R)-1-[3-bromo-4-[methyl(2-phenylethyl)amino]phenyl]ethanol?
The canonical SMILES for (1R)-1-[3-bromo-4-[methyl(2-phenylethyl)amino]phenyl]ethanol is C[C@@H](O)c1ccc(N(C)CCc2ccccc2)c(Br)c1.
What is the InChIKey of (1R)-1-[3-bromo-4-[methyl(2-phenylethyl)amino]phenyl]ethanol?
The InChIKey is QTZWEDFYSBNPNB-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-13(20)15-8-9-17(16(18)12-15)19(2)11-10-14-6-4-3-5-7-14/h3-9,12-13,20H,10-11H2,1-2H3/t13-/m1/s1.
What are the key properties of (1R)-1-[3-bromo-4-[methyl(2-phenylethyl)amino]phenyl]ethanol?
(1R)-1-[3-bromo-4-[methyl(2-phenylethyl)amino]phenyl]ethanol has a molecular weight of 334.26 g/mol, XLogP of 4.18, 5 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-[methyl(2-phenylethyl)amino]phenyl]ethanol is sourced from PubChem (CID 65485907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).