2-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]butan-1-ol

C19H22Cl2FNO3 — CID 66530031

IUPAC2-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]butan-1-ol
SMILESCCC(CO)NCc1cc(OC)c(OCc2c(F)cccc2Cl)cc1Cl
InChIInChI=1S/C19H22Cl2FNO3/c1-3-13(10-24)23-9-12-7-18(25-2)19(8-16(12)21)26-11-14-15(20)5-4-6-17(14)22/h4-8,13,23-24H,3,9-11H2,1-2H3
InChIKeyILSXWFLBPLTSJP-UHFFFAOYSA-N
MW402.29 g/mol
LogP4.58
Rot. Bonds9

About 2-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]butan-1-ol

2-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]butan-1-ol (PubChem CID 66530031) has the molecular formula C19H22Cl2FNO3 and a molecular weight of 402.29 g/mol. Its IUPAC name is 2-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]butan-1-ol.

Molecular Properties

Compound Name2-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]butan-1-ol
PubChem CID66530031
Molecular FormulaC19H22Cl2FNO3
Molecular Weight402.29 g/mol
Exact Mass401.10
IUPAC Name2-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]butan-1-ol
SMILESCCC(CO)NCc1cc(OC)c(OCc2c(F)cccc2Cl)cc1Cl
InChIInChI=1S/C19H22Cl2FNO3/c1-3-13(10-24)23-9-12-7-18(25-2)19(8-16(12)21)26-11-14-15(20)5-4-6-17(14)22/h4-8,13,23-24H,3,9-11H2,1-2H3
InChIKeyILSXWFLBPLTSJP-UHFFFAOYSA-N
XLogP4.58
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.29
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]butan-1-ol with MolForge

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Related Compounds

2-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol
CID 4719354
2-[2-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethylamino]ethanol
CID 66537733
2-[3-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]propylamino]ethanol
CID 66537743
N-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-3-methylbutan-1-amine
CID 66530086
2-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]-2-methylpropan-1-ol
CID 66530003
2,6-dichloro-4-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]phenol
CID 66540222
2-[[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol;hydrochloride
CID 17293782
(2S)-2-[[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 51993357
2-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]butan-1-ol
CID 66530649
2-[(2-chloro-4,5-diethoxyphenyl)methylamino]butan-1-ol
CID 66532485
N-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2-(3,4-dimethoxyphenyl)ethanamine
CID 66531671
(2R)-2-[(2-chloro-6-methoxyphenyl)methylamino]butan-1-ol
CID 103924290

Frequently Asked Questions

What is the IUPAC name of 2-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]butan-1-ol?
The IUPAC name of 2-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]butan-1-ol (CID 66530031) is 2-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]butan-1-ol.
What is the SMILES notation for 2-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]butan-1-ol?
The canonical SMILES for 2-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]butan-1-ol is CCC(CO)NCc1cc(OC)c(OCc2c(F)cccc2Cl)cc1Cl.
What is the InChIKey of 2-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]butan-1-ol?
The InChIKey is ILSXWFLBPLTSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2FNO3/c1-3-13(10-24)23-9-12-7-18(25-2)19(8-16(12)21)26-11-14-15(20)5-4-6-17(14)22/h4-8,13,23-24H,3,9-11H2,1-2H3.
What are the key properties of 2-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]butan-1-ol?
2-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]butan-1-ol has a molecular weight of 402.29 g/mol, XLogP of 4.58, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]butan-1-ol is sourced from PubChem (CID 66530031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).