2-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-2-methylpropan-1-ol;hydrochloride

C19H24Cl2FNO3 — CID 17056706

IUPAC2-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-2-methylpropan-1-ol;hydrochloride
SMILESCOc1cccc(CNC(C)(C)CO)c1OCc1ccc(F)cc1Cl.Cl
InChIInChI=1S/C19H23ClFNO3.ClH/c1-19(2,12-23)22-10-13-5-4-6-17(24-3)18(13)25-11-14-7-8-15(21)9-16(14)20;/h4-9,22-23H,10-12H2,1-3H3;1H
InChIKeyDPTPNSOSYUAZHM-UHFFFAOYSA-N
MW404.31 g/mol
LogP4.35
Rot. Bonds8

About 2-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-2-methylpropan-1-ol;hydrochloride

2-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-2-methylpropan-1-ol;hydrochloride (PubChem CID 17056706) has the molecular formula C19H24Cl2FNO3 and a molecular weight of 404.31 g/mol. Its IUPAC name is 2-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-2-methylpropan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-2-methylpropan-1-ol;hydrochloride
PubChem CID17056706
Molecular FormulaC19H24Cl2FNO3
Molecular Weight404.31 g/mol
Exact Mass403.11
IUPAC Name2-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-2-methylpropan-1-ol;hydrochloride
SMILESCOc1cccc(CNC(C)(C)CO)c1OCc1ccc(F)cc1Cl.Cl
InChIInChI=1S/C19H23ClFNO3.ClH/c1-19(2,12-23)22-10-13-5-4-6-17(24-3)18(13)25-11-14-7-8-15(21)9-16(14)20;/h4-9,22-23H,10-12H2,1-3H3;1H
InChIKeyDPTPNSOSYUAZHM-UHFFFAOYSA-N
XLogP4.35
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.31
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-2-methylpropan-1-ol;hydrochloride with MolForge

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Related Compounds

2-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-2-methylpropan-1-ol
CID 1017286
N-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]prop-2-en-1-amine;hydrochloride
CID 17056749
4-[[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]methyl]benzoic acid;hydrochloride
CID 17056771
N-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclooctanamine
CID 17056803
N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 4721442
4-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-3-methylbenzoic acid
CID 17058448
(1S)-2-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-1-phenylethanol
CID 29187906
2-[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]ethanamine
CID 60904969
(1S)-N-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-phenylethanamine
CID 29187859
N-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methylphenyl]methyl]ethanamine
CID 115952569
N-tert-butyl-2-[2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-6-methoxyphenoxy]acetamide;hydrochloride
CID 17053394
3-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-N-(2-methylpropyl)benzamide
CID 17058200

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-2-methylpropan-1-ol;hydrochloride?
The IUPAC name of 2-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-2-methylpropan-1-ol;hydrochloride (CID 17056706) is 2-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-2-methylpropan-1-ol;hydrochloride.
What is the SMILES notation for 2-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-2-methylpropan-1-ol;hydrochloride?
The canonical SMILES for 2-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-2-methylpropan-1-ol;hydrochloride is COc1cccc(CNC(C)(C)CO)c1OCc1ccc(F)cc1Cl.Cl.
What is the InChIKey of 2-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-2-methylpropan-1-ol;hydrochloride?
The InChIKey is DPTPNSOSYUAZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClFNO3.ClH/c1-19(2,12-23)22-10-13-5-4-6-17(24-3)18(13)25-11-14-7-8-15(21)9-16(14)20;/h4-9,22-23H,10-12H2,1-3H3;1H.
What are the key properties of 2-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-2-methylpropan-1-ol;hydrochloride?
2-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-2-methylpropan-1-ol;hydrochloride has a molecular weight of 404.31 g/mol, XLogP of 4.35, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-2-methylpropan-1-ol;hydrochloride is sourced from PubChem (CID 17056706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).