(2R)-2-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]butan-1-ol

C19H23BrClNO3 — CID 27236202

IUPAC(2R)-2-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]butan-1-ol
SMILESCC[C@H](CO)NCc1cc(Br)c(OCc2ccc(Cl)cc2)c(OC)c1
InChIInChI=1S/C19H23BrClNO3/c1-3-16(11-23)22-10-14-8-17(20)19(18(9-14)24-2)25-12-13-4-6-15(21)7-5-13/h4-9,16,22-23H,3,10-12H2,1-2H3/t16-/m1/s1
InChIKeyPRDZLRDDMPKQLM-MRXNPFEDSA-N
MW428.75 g/mol
LogP4.55
Rot. Bonds9

About (2R)-2-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]butan-1-ol

(2R)-2-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]butan-1-ol (PubChem CID 27236202) has the molecular formula C19H23BrClNO3 and a molecular weight of 428.75 g/mol. Its IUPAC name is (2R)-2-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]butan-1-ol.

Molecular Properties

Compound Name(2R)-2-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]butan-1-ol
PubChem CID27236202
Molecular FormulaC19H23BrClNO3
Molecular Weight428.75 g/mol
Exact Mass427.05
IUPAC Name(2R)-2-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]butan-1-ol
SMILESCC[C@H](CO)NCc1cc(Br)c(OCc2ccc(Cl)cc2)c(OC)c1
InChIInChI=1S/C19H23BrClNO3/c1-3-16(11-23)22-10-14-8-17(20)19(18(9-14)24-2)25-12-13-4-6-15(21)7-5-13/h4-9,16,22-23H,3,10-12H2,1-2H3/t16-/m1/s1
InChIKeyPRDZLRDDMPKQLM-MRXNPFEDSA-N
XLogP4.55
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.75
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]butan-1-ol with MolForge

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Related Compounds

(2R)-2-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]butan-1-ol
CID 27236206
2-[[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]butan-1-ol
CID 4716048
2-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]butan-1-ol
CID 4716004
(2S)-2-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylamino]butan-1-ol
CID 40726286
2-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylamino]butan-1-ol;hydrochloride
CID 17292090
(2S)-2-[(3-bromo-4,5-dimethoxyphenyl)methylamino]butan-1-ol
CID 40726282
(2R)-2-[[3-chloro-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 29057590
(2R)-2-[[3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 27236210
N-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 3546377
(2S)-2-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol
CID 40726440
2-[2-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethoxy]ethanol
CID 17155162
N-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-(4-chlorophenyl)ethanamine;hydrochloride
CID 17208406

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]butan-1-ol?
The IUPAC name of (2R)-2-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]butan-1-ol (CID 27236202) is (2R)-2-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]butan-1-ol.
What is the SMILES notation for (2R)-2-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]butan-1-ol?
The canonical SMILES for (2R)-2-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]butan-1-ol is CC[C@H](CO)NCc1cc(Br)c(OCc2ccc(Cl)cc2)c(OC)c1.
What is the InChIKey of (2R)-2-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]butan-1-ol?
The InChIKey is PRDZLRDDMPKQLM-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H23BrClNO3/c1-3-16(11-23)22-10-14-8-17(20)19(18(9-14)24-2)25-12-13-4-6-15(21)7-5-13/h4-9,16,22-23H,3,10-12H2,1-2H3/t16-/m1/s1.
What are the key properties of (2R)-2-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]butan-1-ol?
(2R)-2-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]butan-1-ol has a molecular weight of 428.75 g/mol, XLogP of 4.55, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]butan-1-ol is sourced from PubChem (CID 27236202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).