1-[(2-chloro-6-fluorophenyl)methyl-methylamino]-3-(4-phenylphenoxy)propan-2-ol

C23H23ClFNO2 — CID 18224684

IUPAC1-[(2-chloro-6-fluorophenyl)methyl-methylamino]-3-(4-phenylphenoxy)propan-2-ol
SMILESCN(Cc1c(F)cccc1Cl)CC(O)COc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H23ClFNO2/c1-26(15-21-22(24)8-5-9-23(21)25)14-19(27)16-28-20-12-10-18(11-13-20)17-6-3-2-4-7-17/h2-13,19,27H,14-16H2,1H3
InChIKeyAMYCGADOGKMWGQ-UHFFFAOYSA-N
MW399.89 g/mol
LogP5.02
Rot. Bonds8

About 1-[(2-chloro-6-fluorophenyl)methyl-methylamino]-3-(4-phenylphenoxy)propan-2-ol

1-[(2-chloro-6-fluorophenyl)methyl-methylamino]-3-(4-phenylphenoxy)propan-2-ol (PubChem CID 18224684) has the molecular formula C23H23ClFNO2 and a molecular weight of 399.89 g/mol. Its IUPAC name is 1-[(2-chloro-6-fluorophenyl)methyl-methylamino]-3-(4-phenylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[(2-chloro-6-fluorophenyl)methyl-methylamino]-3-(4-phenylphenoxy)propan-2-ol
PubChem CID18224684
Molecular FormulaC23H23ClFNO2
Molecular Weight399.89 g/mol
Exact Mass399.14
IUPAC Name1-[(2-chloro-6-fluorophenyl)methyl-methylamino]-3-(4-phenylphenoxy)propan-2-ol
SMILESCN(Cc1c(F)cccc1Cl)CC(O)COc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H23ClFNO2/c1-26(15-21-22(24)8-5-9-23(21)25)14-19(27)16-28-20-12-10-18(11-13-20)17-6-3-2-4-7-17/h2-13,19,27H,14-16H2,1H3
InChIKeyAMYCGADOGKMWGQ-UHFFFAOYSA-N
XLogP5.02
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.89
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[(2-chloro-6-fluorophenyl)methyl-methylamino]-3-(2,6-dichlorophenoxy)propan-2-ol
CID 2090777
N-[4-[3-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-hydroxypropoxy]phenyl]acetamide
CID 55680016
1-[(2-chloro-6-fluorophenyl)methyl-methylamino]propan-2-ol
CID 62333927
1-(2-chloro-6-fluorophenyl)-3-phenoxypropan-2-ol
CID 55104112
(2S)-1-[[1-[(2-chlorophenyl)methyl]-3-phenylpyrazol-4-yl]methyl-methylamino]-3-(4-phenylphenoxy)propan-2-ol
CID 98384418
1-[methyl-[2-(4-methylphenoxy)ethyl]amino]-3-(4-phenylphenoxy)propan-2-ol
CID 18278682
4-[3-[(2-fluorophenyl)methyl-methylamino]-2-hydroxypropoxy]benzonitrile
CID 51160367
1-(1,3-benzodioxol-5-ylmethoxy)-3-[(2-chloro-6-fluorophenyl)methyl-methylamino]propan-2-ol
CID 51160302
1-[benzyl(methyl)amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 110877486
1-[(2,4-difluorophenyl)methyl-methylamino]-3-(4-methylphenoxy)propan-2-ol
CID 134001793
(2R)-1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-3-(4-phenylphenoxy)propan-2-ol
CID 2508986
1-[benzyl(methyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 166193938

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl-methylamino]-3-(4-phenylphenoxy)propan-2-ol?
The IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl-methylamino]-3-(4-phenylphenoxy)propan-2-ol (CID 18224684) is 1-[(2-chloro-6-fluorophenyl)methyl-methylamino]-3-(4-phenylphenoxy)propan-2-ol.
What is the SMILES notation for 1-[(2-chloro-6-fluorophenyl)methyl-methylamino]-3-(4-phenylphenoxy)propan-2-ol?
The canonical SMILES for 1-[(2-chloro-6-fluorophenyl)methyl-methylamino]-3-(4-phenylphenoxy)propan-2-ol is CN(Cc1c(F)cccc1Cl)CC(O)COc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-[(2-chloro-6-fluorophenyl)methyl-methylamino]-3-(4-phenylphenoxy)propan-2-ol?
The InChIKey is AMYCGADOGKMWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClFNO2/c1-26(15-21-22(24)8-5-9-23(21)25)14-19(27)16-28-20-12-10-18(11-13-20)17-6-3-2-4-7-17/h2-13,19,27H,14-16H2,1H3.
What are the key properties of 1-[(2-chloro-6-fluorophenyl)methyl-methylamino]-3-(4-phenylphenoxy)propan-2-ol?
1-[(2-chloro-6-fluorophenyl)methyl-methylamino]-3-(4-phenylphenoxy)propan-2-ol has a molecular weight of 399.89 g/mol, XLogP of 5.02, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6-fluorophenyl)methyl-methylamino]-3-(4-phenylphenoxy)propan-2-ol is sourced from PubChem (CID 18224684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).