(2R)-2-[[5-bromo-2-[(2,6-dichlorophenyl)methoxy]phenyl]methylamino]butan-1-ol

C18H20BrCl2NO2 — CID 51993805

IUPAC(2R)-2-[[5-bromo-2-[(2,6-dichlorophenyl)methoxy]phenyl]methylamino]butan-1-ol
SMILESCC[C@H](CO)NCc1cc(Br)ccc1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C18H20BrCl2NO2/c1-2-14(10-23)22-9-12-8-13(19)6-7-18(12)24-11-15-16(20)4-3-5-17(15)21/h3-8,14,22-23H,2,9-11H2,1H3/t14-/m1/s1
InChIKeyZYWPSWXUFQXNFI-CQSZACIVSA-N
MW433.17 g/mol
LogP5.20
Rot. Bonds8

About (2R)-2-[[5-bromo-2-[(2,6-dichlorophenyl)methoxy]phenyl]methylamino]butan-1-ol

(2R)-2-[[5-bromo-2-[(2,6-dichlorophenyl)methoxy]phenyl]methylamino]butan-1-ol (PubChem CID 51993805) has the molecular formula C18H20BrCl2NO2 and a molecular weight of 433.17 g/mol. Its IUPAC name is (2R)-2-[[5-bromo-2-[(2,6-dichlorophenyl)methoxy]phenyl]methylamino]butan-1-ol.

Molecular Properties

Compound Name(2R)-2-[[5-bromo-2-[(2,6-dichlorophenyl)methoxy]phenyl]methylamino]butan-1-ol
PubChem CID51993805
Molecular FormulaC18H20BrCl2NO2
Molecular Weight433.17 g/mol
Exact Mass431.01
IUPAC Name(2R)-2-[[5-bromo-2-[(2,6-dichlorophenyl)methoxy]phenyl]methylamino]butan-1-ol
SMILESCC[C@H](CO)NCc1cc(Br)ccc1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C18H20BrCl2NO2/c1-2-14(10-23)22-9-12-8-13(19)6-7-18(12)24-11-15-16(20)4-3-5-17(15)21/h3-8,14,22-23H,2,9-11H2,1H3/t14-/m1/s1
InChIKeyZYWPSWXUFQXNFI-CQSZACIVSA-N
XLogP5.20
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.17
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[[5-bromo-2-[(2,6-dichlorophenyl)methoxy]phenyl]methylamino]butan-1-ol with MolForge

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Related Compounds

(2S)-2-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 40726356
(2R)-2-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 40727200
(2S)-2-[(5-bromo-2-prop-2-ynoxyphenyl)methylamino]butan-1-ol
CID 104980972
2-[[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol;hydrochloride
CID 17293782
2-[[5-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylamino]propanoic acid
CID 66528187
(2R)-2-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 51996369
2-[(5-bromo-2-propoxyphenyl)methylamino]propane-1,3-diol
CID 65312603
2-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-1,3-dichlorobenzene
CID 55222863
2-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]butan-1-ol
CID 66530031
2-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol
CID 4719354
2-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methylamino]propanoic acid
CID 66527672
N-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]propan-2-amine;hydrochloride
CID 17155854

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[5-bromo-2-[(2,6-dichlorophenyl)methoxy]phenyl]methylamino]butan-1-ol?
The IUPAC name of (2R)-2-[[5-bromo-2-[(2,6-dichlorophenyl)methoxy]phenyl]methylamino]butan-1-ol (CID 51993805) is (2R)-2-[[5-bromo-2-[(2,6-dichlorophenyl)methoxy]phenyl]methylamino]butan-1-ol.
What is the SMILES notation for (2R)-2-[[5-bromo-2-[(2,6-dichlorophenyl)methoxy]phenyl]methylamino]butan-1-ol?
The canonical SMILES for (2R)-2-[[5-bromo-2-[(2,6-dichlorophenyl)methoxy]phenyl]methylamino]butan-1-ol is CC[C@H](CO)NCc1cc(Br)ccc1OCc1c(Cl)cccc1Cl.
What is the InChIKey of (2R)-2-[[5-bromo-2-[(2,6-dichlorophenyl)methoxy]phenyl]methylamino]butan-1-ol?
The InChIKey is ZYWPSWXUFQXNFI-CQSZACIVSA-N. The full InChI is InChI=1S/C18H20BrCl2NO2/c1-2-14(10-23)22-9-12-8-13(19)6-7-18(12)24-11-15-16(20)4-3-5-17(15)21/h3-8,14,22-23H,2,9-11H2,1H3/t14-/m1/s1.
What are the key properties of (2R)-2-[[5-bromo-2-[(2,6-dichlorophenyl)methoxy]phenyl]methylamino]butan-1-ol?
(2R)-2-[[5-bromo-2-[(2,6-dichlorophenyl)methoxy]phenyl]methylamino]butan-1-ol has a molecular weight of 433.17 g/mol, XLogP of 5.20, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[5-bromo-2-[(2,6-dichlorophenyl)methoxy]phenyl]methylamino]butan-1-ol is sourced from PubChem (CID 51993805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).