2-[[6-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]-2-methylpropan-1-ol

C19H22BrCl2NO3 — CID 66536755

IUPAC2-[[6-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]-2-methylpropan-1-ol
SMILESCOc1ccc(Br)c(CNC(C)(C)CO)c1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C19H22BrCl2NO3/c1-19(2,11-24)23-9-12-14(20)7-8-17(25-3)18(12)26-10-13-15(21)5-4-6-16(13)22/h4-8,23-24H,9-11H2,1-3H3
InChIKeyXDMYTKJKFNIPSR-UHFFFAOYSA-N
MW463.20 g/mol
LogP5.20
Rot. Bonds8

About 2-[[6-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]-2-methylpropan-1-ol

2-[[6-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]-2-methylpropan-1-ol (PubChem CID 66536755) has the molecular formula C19H22BrCl2NO3 and a molecular weight of 463.20 g/mol. Its IUPAC name is 2-[[6-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[[6-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]-2-methylpropan-1-ol
PubChem CID66536755
Molecular FormulaC19H22BrCl2NO3
Molecular Weight463.20 g/mol
Exact Mass461.02
IUPAC Name2-[[6-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]-2-methylpropan-1-ol
SMILESCOc1ccc(Br)c(CNC(C)(C)CO)c1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C19H22BrCl2NO3/c1-19(2,11-24)23-9-12-14(20)7-8-17(25-3)18(12)26-10-13-15(21)5-4-6-16(13)22/h4-8,23-24H,9-11H2,1-3H3
InChIKeyXDMYTKJKFNIPSR-UHFFFAOYSA-N
XLogP5.20
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.20
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-bromo-2,3-dimethoxyphenyl)methylamino]-2-methylpropan-1-ol
CID 66536812
N-[[6-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]propan-2-amine
CID 66536604
N-[[6-bromo-2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2,4,4-trimethylpentan-2-amine
CID 66536901
2-[[6-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]propanoic acid
CID 66536547
N-[4-[[6-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]phenyl]acetamide
CID 66544074
2-[[6-bromo-3-methoxy-2-[(4-nitrophenyl)methoxy]phenyl]methylamino]-2-methylpropan-1-ol
CID 66536346
N-[[6-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2,4-dichloroaniline
CID 66544036
N-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-2-methylbutan-2-amine
CID 66536017
N-[[6-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-N',N'-dimethylpropane-1,3-diamine
CID 66538452
N-[[6-bromo-2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylbutan-2-amine
CID 66535949
N-[[6-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-2-ylmethanamine
CID 66536614
N-[[6-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]adamantan-1-amine
CID 66536735

Frequently Asked Questions

What is the IUPAC name of 2-[[6-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]-2-methylpropan-1-ol?
The IUPAC name of 2-[[6-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]-2-methylpropan-1-ol (CID 66536755) is 2-[[6-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[[6-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[[6-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]-2-methylpropan-1-ol is COc1ccc(Br)c(CNC(C)(C)CO)c1OCc1c(Cl)cccc1Cl.
What is the InChIKey of 2-[[6-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]-2-methylpropan-1-ol?
The InChIKey is XDMYTKJKFNIPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrCl2NO3/c1-19(2,11-24)23-9-12-14(20)7-8-17(25-3)18(12)26-10-13-15(21)5-4-6-16(13)22/h4-8,23-24H,9-11H2,1-3H3.
What are the key properties of 2-[[6-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]-2-methylpropan-1-ol?
2-[[6-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]-2-methylpropan-1-ol has a molecular weight of 463.20 g/mol, XLogP of 5.20, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]-2-methylpropan-1-ol is sourced from PubChem (CID 66536755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).