2-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol

C19H23ClFNO3 — CID 4719354

IUPAC2-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol
SMILESCCC(CO)NCc1ccc(OCc2c(F)cccc2Cl)c(OC)c1
InChIInChI=1S/C19H23ClFNO3/c1-3-14(11-23)22-10-13-7-8-18(19(9-13)24-2)25-12-15-16(20)5-4-6-17(15)21/h4-9,14,22-23H,3,10-12H2,1-2H3
InChIKeyWSTHPKHOQGLTKK-UHFFFAOYSA-N
MW367.85 g/mol
LogP3.93
Rot. Bonds9

About 2-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol

2-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol (PubChem CID 4719354) has the molecular formula C19H23ClFNO3 and a molecular weight of 367.85 g/mol. Its IUPAC name is 2-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol.

Molecular Properties

Compound Name2-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol
PubChem CID4719354
Molecular FormulaC19H23ClFNO3
Molecular Weight367.85 g/mol
Exact Mass367.14
IUPAC Name2-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol
SMILESCCC(CO)NCc1ccc(OCc2c(F)cccc2Cl)c(OC)c1
InChIInChI=1S/C19H23ClFNO3/c1-3-14(11-23)22-10-13-7-8-18(19(9-13)24-2)25-12-15-16(20)5-4-6-17(15)21/h4-9,14,22-23H,3,10-12H2,1-2H3
InChIKeyWSTHPKHOQGLTKK-UHFFFAOYSA-N
XLogP3.93
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.85
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol with MolForge

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Related Compounds

2-[[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol;hydrochloride
CID 17293782
2-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]butan-1-ol
CID 66530031
(2S)-2-[[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 51993357
2-amino-3-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]propan-1-ol
CID 170892579
2-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol
CID 4719355
2-[3-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]propylamino]ethanol
CID 17214251
N-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-3-methylbutan-1-amine
CID 17210575
(2S)-2-[[3-bromo-4-[(2-chloro-6-fluorophenyl)methoxy]-5-ethoxyphenyl]methylamino]butan-1-ol
CID 51994496
2-[(4-ethoxy-3-methoxyphenyl)methylamino]butan-1-ol;hydrochloride
CID 2987537
(2S)-2-[(3,4-dimethoxyphenyl)methylamino]butan-1-ol;hydrochloride
CID 23623616
4-[[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]methyl]benzoic acid
CID 4719760
(2R)-2-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 40727233

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol?
The IUPAC name of 2-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol (CID 4719354) is 2-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol.
What is the SMILES notation for 2-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol?
The canonical SMILES for 2-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol is CCC(CO)NCc1ccc(OCc2c(F)cccc2Cl)c(OC)c1.
What is the InChIKey of 2-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol?
The InChIKey is WSTHPKHOQGLTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClFNO3/c1-3-14(11-23)22-10-13-7-8-18(19(9-13)24-2)25-12-15-16(20)5-4-6-17(15)21/h4-9,14,22-23H,3,10-12H2,1-2H3.
What are the key properties of 2-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol?
2-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol has a molecular weight of 367.85 g/mol, XLogP of 3.93, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol is sourced from PubChem (CID 4719354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).