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

C16H24BrNO — CID 63540480

IUPAC(1R)-1-[3-bromo-4-[methyl-(4-methylcyclohexyl)amino]phenyl]ethanol
SMILESCC1CCC(N(C)c2ccc([C@@H](C)O)cc2Br)CC1
InChIInChI=1S/C16H24BrNO/c1-11-4-7-14(8-5-11)18(3)16-9-6-13(12(2)19)10-15(16)17/h6,9-12,14,19H,4-5,7-8H2,1-3H3/t11?,12-,14?/m1/s1
InChIKeyKQWNEUZDZUZQAN-MBHSVXNSSA-N
MW326.28 g/mol
LogP4.52
Rot. Bonds3

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

(1R)-1-[3-bromo-4-[methyl-(4-methylcyclohexyl)amino]phenyl]ethanol (PubChem CID 63540480) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is (1R)-1-[3-bromo-4-[methyl-(4-methylcyclohexyl)amino]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[3-bromo-4-[methyl-(4-methylcyclohexyl)amino]phenyl]ethanol
PubChem CID63540480
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC Name(1R)-1-[3-bromo-4-[methyl-(4-methylcyclohexyl)amino]phenyl]ethanol
SMILESCC1CCC(N(C)c2ccc([C@@H](C)O)cc2Br)CC1
InChIInChI=1S/C16H24BrNO/c1-11-4-7-14(8-5-11)18(3)16-9-6-13(12(2)19)10-15(16)17/h6,9-12,14,19H,4-5,7-8H2,1-3H3/t11?,12-,14?/m1/s1
InChIKeyKQWNEUZDZUZQAN-MBHSVXNSSA-N
XLogP4.52
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.52
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

(1R)-1-[3-bromo-4-[cyclopentyl(methyl)amino]phenyl]ethanol
CID 63370691
1-[3-bromo-4-[methyl(oxolan-3-yl)amino]phenyl]ethanol
CID 82741897
(1R)-1-[4-[cyclopropyl(methyl)amino]-3-fluorophenyl]ethanol
CID 63370674
1-[3-bromo-4-[cyclobutylmethyl(methyl)amino]phenyl]ethanol
CID 62912014
(1R)-1-[3-bromo-4-(N-methylanilino)phenyl]ethanol
CID 63371697
1-[2-bromo-4-[(1R)-1-hydroxyethyl]-N-methylanilino]propan-2-ol
CID 63371869
1-[3-bromo-4-[cyclopropyl(2-methoxyethyl)amino]phenyl]ethanol
CID 62909901
2-[2-bromo-4-[(1S)-1-hydroxyethyl]-N-methylanilino]propan-1-ol
CID 104552647
(1R)-1-[2-[methyl-(4-methylcyclohexyl)amino]phenyl]ethanol
CID 55182840
3-[2-bromo-N-cyclopropyl-4-[(1S)-1-hydroxyethyl]anilino]propanenitrile
CID 78940580
2-[2-bromo-N-cyclopentyl-4-(1-hydroxyethyl)anilino]acetamide
CID 62908195
(1S)-1-[3-bromo-4-(diethylamino)phenyl]ethanol
CID 78939147

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-bromo-4-[methyl-(4-methylcyclohexyl)amino]phenyl]ethanol?
The IUPAC name of (1R)-1-[3-bromo-4-[methyl-(4-methylcyclohexyl)amino]phenyl]ethanol (CID 63540480) is (1R)-1-[3-bromo-4-[methyl-(4-methylcyclohexyl)amino]phenyl]ethanol.
What is the SMILES notation for (1R)-1-[3-bromo-4-[methyl-(4-methylcyclohexyl)amino]phenyl]ethanol?
The canonical SMILES for (1R)-1-[3-bromo-4-[methyl-(4-methylcyclohexyl)amino]phenyl]ethanol is CC1CCC(N(C)c2ccc([C@@H](C)O)cc2Br)CC1.
What is the InChIKey of (1R)-1-[3-bromo-4-[methyl-(4-methylcyclohexyl)amino]phenyl]ethanol?
The InChIKey is KQWNEUZDZUZQAN-MBHSVXNSSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-11-4-7-14(8-5-11)18(3)16-9-6-13(12(2)19)10-15(16)17/h6,9-12,14,19H,4-5,7-8H2,1-3H3/t11?,12-,14?/m1/s1.
What are the key properties of (1R)-1-[3-bromo-4-[methyl-(4-methylcyclohexyl)amino]phenyl]ethanol?
(1R)-1-[3-bromo-4-[methyl-(4-methylcyclohexyl)amino]phenyl]ethanol has a molecular weight of 326.28 g/mol, XLogP of 4.52, 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-[methyl-(4-methylcyclohexyl)amino]phenyl]ethanol is sourced from PubChem (CID 63540480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).