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

C14H22BrNO — CID 63372756

IUPAC(1R)-1-[3-bromo-4-[2,2-dimethylpropyl(methyl)amino]phenyl]ethanol
SMILESC[C@@H](O)c1ccc(N(C)CC(C)(C)C)c(Br)c1
InChIInChI=1S/C14H22BrNO/c1-10(17)11-6-7-13(12(15)8-11)16(5)9-14(2,3)4/h6-8,10,17H,9H2,1-5H3/t10-/m1/s1
InChIKeyRZJAPUZSMLLXEK-SNVBAGLBSA-N
MW300.24 g/mol
LogP3.98
Rot. Bonds3

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

(1R)-1-[3-bromo-4-[2,2-dimethylpropyl(methyl)amino]phenyl]ethanol (PubChem CID 63372756) has the molecular formula C14H22BrNO and a molecular weight of 300.24 g/mol. Its IUPAC name is (1R)-1-[3-bromo-4-[2,2-dimethylpropyl(methyl)amino]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[3-bromo-4-[2,2-dimethylpropyl(methyl)amino]phenyl]ethanol
PubChem CID63372756
Molecular FormulaC14H22BrNO
Molecular Weight300.24 g/mol
Exact Mass299.09
IUPAC Name(1R)-1-[3-bromo-4-[2,2-dimethylpropyl(methyl)amino]phenyl]ethanol
SMILESC[C@@H](O)c1ccc(N(C)CC(C)(C)C)c(Br)c1
InChIInChI=1S/C14H22BrNO/c1-10(17)11-6-7-13(12(15)8-11)16(5)9-14(2,3)4/h6-8,10,17H,9H2,1-5H3/t10-/m1/s1
InChIKeyRZJAPUZSMLLXEK-SNVBAGLBSA-N
XLogP3.98
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 53.98
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

1-[2-bromo-4-[(1R)-1-hydroxyethyl]-N-methylanilino]propan-2-ol
CID 63371869
2-[2-bromo-4-[(1S)-1-hydroxyethyl]-N-methylanilino]-2-methylpropan-1-ol
CID 104864038
(1R)-1-[4-[benzyl(methyl)amino]-3-bromophenyl]ethanol
CID 55183003
(1R)-1-[3-bromo-4-[methyl(2-phenylethyl)amino]phenyl]ethanol
CID 65485907
3-[2-bromo-4-[(1S)-1-hydroxyethyl]-N-methylanilino]-2-methylpropanenitrile
CID 78940534
2-[2-bromo-4-[(1S)-1-hydroxyethyl]-N-methylanilino]propan-1-ol
CID 104552647
1-[3-bromo-4-[methyl(pyridin-4-ylmethyl)amino]phenyl]ethanol
CID 62908856
1-[3-bromo-4-[cyclobutylmethyl(methyl)amino]phenyl]ethanol
CID 62912014
(1S)-1-[3-bromo-4-(diethylamino)phenyl]ethanol
CID 78939147
(1S)-1-[3-bromo-4-[(3-bromophenyl)methyl-methylamino]phenyl]ethanol
CID 78944655
1-[3-bromo-4-[(5-bromothiophen-3-yl)methyl-methylamino]phenyl]ethanol
CID 55130341
2-[2-bromo-4-(1-hydroxyethyl)-N-methylanilino]-N-propan-2-ylacetamide
CID 55132276

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-bromo-4-[2,2-dimethylpropyl(methyl)amino]phenyl]ethanol?
The IUPAC name of (1R)-1-[3-bromo-4-[2,2-dimethylpropyl(methyl)amino]phenyl]ethanol (CID 63372756) is (1R)-1-[3-bromo-4-[2,2-dimethylpropyl(methyl)amino]phenyl]ethanol.
What is the SMILES notation for (1R)-1-[3-bromo-4-[2,2-dimethylpropyl(methyl)amino]phenyl]ethanol?
The canonical SMILES for (1R)-1-[3-bromo-4-[2,2-dimethylpropyl(methyl)amino]phenyl]ethanol is C[C@@H](O)c1ccc(N(C)CC(C)(C)C)c(Br)c1.
What is the InChIKey of (1R)-1-[3-bromo-4-[2,2-dimethylpropyl(methyl)amino]phenyl]ethanol?
The InChIKey is RZJAPUZSMLLXEK-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H22BrNO/c1-10(17)11-6-7-13(12(15)8-11)16(5)9-14(2,3)4/h6-8,10,17H,9H2,1-5H3/t10-/m1/s1.
What are the key properties of (1R)-1-[3-bromo-4-[2,2-dimethylpropyl(methyl)amino]phenyl]ethanol?
(1R)-1-[3-bromo-4-[2,2-dimethylpropyl(methyl)amino]phenyl]ethanol has a molecular weight of 300.24 g/mol, XLogP of 3.98, 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-[2,2-dimethylpropyl(methyl)amino]phenyl]ethanol is sourced from PubChem (CID 63372756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).