1-[1-(2,4-dichlorophenyl)ethyl-methylamino]-3-[(2-methoxyphenyl)methoxy]propan-2-ol

C20H25Cl2NO3 — CID 55571032

IUPAC1-[1-(2,4-dichlorophenyl)ethyl-methylamino]-3-[(2-methoxyphenyl)methoxy]propan-2-ol
SMILESCOc1ccccc1COCC(O)CN(C)C(C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H25Cl2NO3/c1-14(18-9-8-16(21)10-19(18)22)23(2)11-17(24)13-26-12-15-6-4-5-7-20(15)25-3/h4-10,14,17,24H,11-13H2,1-3H3
InChIKeyDDJUPMWJGJFVSC-UHFFFAOYSA-N
MW398.33 g/mol
LogP4.57
Rot. Bonds9

About 1-[1-(2,4-dichlorophenyl)ethyl-methylamino]-3-[(2-methoxyphenyl)methoxy]propan-2-ol

1-[1-(2,4-dichlorophenyl)ethyl-methylamino]-3-[(2-methoxyphenyl)methoxy]propan-2-ol (PubChem CID 55571032) has the molecular formula C20H25Cl2NO3 and a molecular weight of 398.33 g/mol. Its IUPAC name is 1-[1-(2,4-dichlorophenyl)ethyl-methylamino]-3-[(2-methoxyphenyl)methoxy]propan-2-ol.

Molecular Properties

Compound Name1-[1-(2,4-dichlorophenyl)ethyl-methylamino]-3-[(2-methoxyphenyl)methoxy]propan-2-ol
PubChem CID55571032
Molecular FormulaC20H25Cl2NO3
Molecular Weight398.33 g/mol
Exact Mass397.12
IUPAC Name1-[1-(2,4-dichlorophenyl)ethyl-methylamino]-3-[(2-methoxyphenyl)methoxy]propan-2-ol
SMILESCOc1ccccc1COCC(O)CN(C)C(C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H25Cl2NO3/c1-14(18-9-8-16(21)10-19(18)22)23(2)11-17(24)13-26-12-15-6-4-5-7-20(15)25-3/h4-10,14,17,24H,11-13H2,1-3H3
InChIKeyDDJUPMWJGJFVSC-UHFFFAOYSA-N
XLogP4.57
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.33
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-(2,4-dichlorophenyl)ethyl-methylamino]-3-[(2-methoxyphenyl)methoxy]propan-2-ol with MolForge

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Related Compounds

1-[cyclobutyl(methyl)amino]-3-[(2-methoxyphenyl)methoxy]propan-2-ol
CID 111488960
(2R)-1-amino-3-[(2-methoxyphenyl)methoxy]propan-2-ol
CID 97180175
1-[(2-chlorophenyl)methoxy]-3-[methyl(2-methylpropyl)amino]propan-2-ol
CID 110909172
1-(5-chloro-2-methoxyphenyl)-3-(2-methoxyphenyl)propan-2-ol
CID 62608604
1-[(1S)-1-(2,4-dichlorophenyl)ethyl]-3-[(2-methoxyphenyl)methyl]urea
CID 38149207
2-(2-chlorophenyl)-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylacetamide
CID 13268038
1-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-3-[(2-methoxyphenyl)methoxy]propan-2-ol
CID 74626402
1-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-[(2-fluorophenyl)methoxy]propan-2-ol
CID 78805385
(1R)-1-[2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]ethanol
CID 63364799
1-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 110880362
1-[(2-chlorophenyl)methoxy]-3-(2-fluoro-6-methoxyphenoxy)propan-2-ol
CID 109416037
1-[1-(4-chlorophenyl)ethyl-methylamino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 110885671

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-dichlorophenyl)ethyl-methylamino]-3-[(2-methoxyphenyl)methoxy]propan-2-ol?
The IUPAC name of 1-[1-(2,4-dichlorophenyl)ethyl-methylamino]-3-[(2-methoxyphenyl)methoxy]propan-2-ol (CID 55571032) is 1-[1-(2,4-dichlorophenyl)ethyl-methylamino]-3-[(2-methoxyphenyl)methoxy]propan-2-ol.
What is the SMILES notation for 1-[1-(2,4-dichlorophenyl)ethyl-methylamino]-3-[(2-methoxyphenyl)methoxy]propan-2-ol?
The canonical SMILES for 1-[1-(2,4-dichlorophenyl)ethyl-methylamino]-3-[(2-methoxyphenyl)methoxy]propan-2-ol is COc1ccccc1COCC(O)CN(C)C(C)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[1-(2,4-dichlorophenyl)ethyl-methylamino]-3-[(2-methoxyphenyl)methoxy]propan-2-ol?
The InChIKey is DDJUPMWJGJFVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25Cl2NO3/c1-14(18-9-8-16(21)10-19(18)22)23(2)11-17(24)13-26-12-15-6-4-5-7-20(15)25-3/h4-10,14,17,24H,11-13H2,1-3H3.
What are the key properties of 1-[1-(2,4-dichlorophenyl)ethyl-methylamino]-3-[(2-methoxyphenyl)methoxy]propan-2-ol?
1-[1-(2,4-dichlorophenyl)ethyl-methylamino]-3-[(2-methoxyphenyl)methoxy]propan-2-ol has a molecular weight of 398.33 g/mol, XLogP of 4.57, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-dichlorophenyl)ethyl-methylamino]-3-[(2-methoxyphenyl)methoxy]propan-2-ol is sourced from PubChem (CID 55571032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).