2-[[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol;hydrochloride

C19H24Cl3NO3 — CID 17293782

IUPAC2-[[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol;hydrochloride
SMILESCCC(CO)NCc1ccc(OCc2c(Cl)cccc2Cl)c(OC)c1.Cl
InChIInChI=1S/C19H23Cl2NO3.ClH/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;1H
InChIKeyZZRFIYCRNGLXEZ-UHFFFAOYSA-N
MW420.76 g/mol
LogP4.86
Rot. Bonds9

About 2-[[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol;hydrochloride

2-[[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol;hydrochloride (PubChem CID 17293782) has the molecular formula C19H24Cl3NO3 and a molecular weight of 420.76 g/mol. Its IUPAC name is 2-[[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-[[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol;hydrochloride
PubChem CID17293782
Molecular FormulaC19H24Cl3NO3
Molecular Weight420.76 g/mol
Exact Mass419.08
IUPAC Name2-[[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol;hydrochloride
SMILESCCC(CO)NCc1ccc(OCc2c(Cl)cccc2Cl)c(OC)c1.Cl
InChIInChI=1S/C19H23Cl2NO3.ClH/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;1H
InChIKeyZZRFIYCRNGLXEZ-UHFFFAOYSA-N
XLogP4.86
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.76
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol;hydrochloride with MolForge

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Related Compounds

2-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol
CID 4719354
2-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol
CID 4719355
2-[(4-ethoxy-3-methoxyphenyl)methylamino]butan-1-ol;hydrochloride
CID 2987537
(2S)-2-[(3,4-dimethoxyphenyl)methylamino]butan-1-ol;hydrochloride
CID 23623616
2-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]butan-1-ol;hydrochloride
CID 17290099
(2R)-2-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 40727233
N-[[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-(3,4-dimethoxyphenyl)ethanamine;hydrochloride
CID 17293841
(2R)-2-[(2-chloro-6-methoxyphenyl)methylamino]butan-1-ol
CID 103924290
2-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]butan-1-ol
CID 66530031
N-[[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]heptan-1-amine;hydrochloride
CID 17293956
(2R)-2-[[5-bromo-2-[(2,6-dichlorophenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 51993805
N-[[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-phenylbutan-1-amine
CID 17156166

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol;hydrochloride?
The IUPAC name of 2-[[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol;hydrochloride (CID 17293782) is 2-[[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol;hydrochloride.
What is the SMILES notation for 2-[[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol;hydrochloride?
The canonical SMILES for 2-[[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol;hydrochloride is CCC(CO)NCc1ccc(OCc2c(Cl)cccc2Cl)c(OC)c1.Cl.
What is the InChIKey of 2-[[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol;hydrochloride?
The InChIKey is ZZRFIYCRNGLXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23Cl2NO3.ClH/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;1H.
What are the key properties of 2-[[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol;hydrochloride?
2-[[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol;hydrochloride has a molecular weight of 420.76 g/mol, XLogP of 4.86, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol;hydrochloride is sourced from PubChem (CID 17293782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).