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

C19H23BrClNO3 — CID 4716004

IUPAC2-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]butan-1-ol
SMILESCCC(CO)NCc1cc(Br)c(OCc2ccccc2Cl)c(OC)c1
InChIInChI=1S/C19H23BrClNO3/c1-3-15(11-23)22-10-13-8-16(20)19(18(9-13)24-2)25-12-14-6-4-5-7-17(14)21/h4-9,15,22-23H,3,10-12H2,1-2H3
InChIKeyMMWCBORRRGIDDD-UHFFFAOYSA-N
MW428.75 g/mol
LogP4.55
Rot. Bonds9

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

2-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]butan-1-ol (PubChem CID 4716004) has the molecular formula C19H23BrClNO3 and a molecular weight of 428.75 g/mol. Its IUPAC name is 2-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]butan-1-ol.

Molecular Properties

Compound Name2-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]butan-1-ol
PubChem CID4716004
Molecular FormulaC19H23BrClNO3
Molecular Weight428.75 g/mol
Exact Mass427.05
IUPAC Name2-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]butan-1-ol
SMILESCCC(CO)NCc1cc(Br)c(OCc2ccccc2Cl)c(OC)c1
InChIInChI=1S/C19H23BrClNO3/c1-3-15(11-23)22-10-13-8-16(20)19(18(9-13)24-2)25-12-14-6-4-5-7-17(14)21/h4-9,15,22-23H,3,10-12H2,1-2H3
InChIKeyMMWCBORRRGIDDD-UHFFFAOYSA-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 2-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]butan-1-ol with MolForge

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Related Compounds

2-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]butan-1-ol
CID 4716038
N-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]butan-2-amine;hydrochloride
CID 17291377
(2R)-2-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]butan-1-ol
CID 27236202
(2S)-2-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylamino]butan-1-ol
CID 40726286
(2R)-2-[[3-bromo-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 51994305
2-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylamino]butan-1-ol;hydrochloride
CID 17292090
2-[[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]butan-1-ol
CID 4716048
(2S)-2-[(3-bromo-4,5-dimethoxyphenyl)methylamino]butan-1-ol
CID 40726282
N-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 4721356
1-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]propan-2-ol;hydrochloride
CID 17290404
N-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]hexan-1-amine;hydrochloride
CID 17291064
1-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-phenylhydrazine
CID 169386308

Frequently Asked Questions

What is the IUPAC name of 2-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]butan-1-ol?
The IUPAC name of 2-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]butan-1-ol (CID 4716004) is 2-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]butan-1-ol.
What is the SMILES notation for 2-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]butan-1-ol?
The canonical SMILES for 2-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]butan-1-ol is CCC(CO)NCc1cc(Br)c(OCc2ccccc2Cl)c(OC)c1.
What is the InChIKey of 2-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]butan-1-ol?
The InChIKey is MMWCBORRRGIDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrClNO3/c1-3-15(11-23)22-10-13-8-16(20)19(18(9-13)24-2)25-12-14-6-4-5-7-17(14)21/h4-9,15,22-23H,3,10-12H2,1-2H3.
What are the key properties of 2-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]butan-1-ol?
2-[[3-bromo-4-[(2-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 2-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]butan-1-ol is sourced from PubChem (CID 4716004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).