1-(2,5-dichlorophenoxy)-3-[(3-methoxyphenyl)methyl-methylamino]propan-2-ol

C18H21Cl2NO3 — CID 3891436

IUPAC1-(2,5-dichlorophenoxy)-3-[(3-methoxyphenyl)methyl-methylamino]propan-2-ol
SMILESCOc1cccc(CN(C)CC(O)COc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C18H21Cl2NO3/c1-21(10-13-4-3-5-16(8-13)23-2)11-15(22)12-24-18-9-14(19)6-7-17(18)20/h3-9,15,22H,10-12H2,1-2H3
InChIKeyMWCKTMHFLWUHMI-UHFFFAOYSA-N
MW370.28 g/mol
LogP3.87
Rot. Bonds8

About 1-(2,5-dichlorophenoxy)-3-[(3-methoxyphenyl)methyl-methylamino]propan-2-ol

1-(2,5-dichlorophenoxy)-3-[(3-methoxyphenyl)methyl-methylamino]propan-2-ol (PubChem CID 3891436) has the molecular formula C18H21Cl2NO3 and a molecular weight of 370.28 g/mol. Its IUPAC name is 1-(2,5-dichlorophenoxy)-3-[(3-methoxyphenyl)methyl-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-(2,5-dichlorophenoxy)-3-[(3-methoxyphenyl)methyl-methylamino]propan-2-ol
PubChem CID3891436
Molecular FormulaC18H21Cl2NO3
Molecular Weight370.28 g/mol
Exact Mass369.09
IUPAC Name1-(2,5-dichlorophenoxy)-3-[(3-methoxyphenyl)methyl-methylamino]propan-2-ol
SMILESCOc1cccc(CN(C)CC(O)COc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C18H21Cl2NO3/c1-21(10-13-4-3-5-16(8-13)23-2)11-15(22)12-24-18-9-14(19)6-7-17(18)20/h3-9,15,22H,10-12H2,1-2H3
InChIKeyMWCKTMHFLWUHMI-UHFFFAOYSA-N
XLogP3.87
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.28
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[(3-methoxyphenyl)methyl-methylamino]-3-propan-2-yloxypropan-2-ol
CID 95357888
3-[(3-methoxyphenyl)methyl-methylamino]propane-1,2-diol
CID 78907088
(2S)-1-(4-chlorophenoxy)-3-[(3-methoxyphenyl)methyl-propan-2-ylamino]propan-2-ol
CID 93162109
1-(4-chlorophenoxy)-3-[(3-methoxyphenyl)methyl-(2-methylpropyl)amino]propan-2-ol
CID 42682308
ethyl 4-[(2S)-2-hydroxy-3-[(3-methoxyphenyl)methyl-methylamino]propoxy]benzoate
CID 41119766
(2S)-1-(4-chlorophenoxy)-3-[2-methoxyethyl-[(3-methoxyphenyl)methyl]amino]propan-2-ol
CID 93162860
1-[(3-methoxyphenyl)methyl-methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 17471420
1-[benzyl(methyl)amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 110877486
[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]-methylsulfamic acid
CID 2832246
ethyl 3-hydroxy-4-[(3-methoxyphenyl)methyl-methylamino]butanoate
CID 82768923
(2R)-1-[benzyl(methyl)amino]-3-[5-[(dimethylamino)methyl]-2-methoxyphenoxy]propan-2-ol
CID 42511734
(2S)-1-(3-bromophenoxy)-3-[(3,4-dimethoxyphenyl)methyl-methylamino]propan-2-ol
CID 26009134

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenoxy)-3-[(3-methoxyphenyl)methyl-methylamino]propan-2-ol?
The IUPAC name of 1-(2,5-dichlorophenoxy)-3-[(3-methoxyphenyl)methyl-methylamino]propan-2-ol (CID 3891436) is 1-(2,5-dichlorophenoxy)-3-[(3-methoxyphenyl)methyl-methylamino]propan-2-ol.
What is the SMILES notation for 1-(2,5-dichlorophenoxy)-3-[(3-methoxyphenyl)methyl-methylamino]propan-2-ol?
The canonical SMILES for 1-(2,5-dichlorophenoxy)-3-[(3-methoxyphenyl)methyl-methylamino]propan-2-ol is COc1cccc(CN(C)CC(O)COc2cc(Cl)ccc2Cl)c1.
What is the InChIKey of 1-(2,5-dichlorophenoxy)-3-[(3-methoxyphenyl)methyl-methylamino]propan-2-ol?
The InChIKey is MWCKTMHFLWUHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2NO3/c1-21(10-13-4-3-5-16(8-13)23-2)11-15(22)12-24-18-9-14(19)6-7-17(18)20/h3-9,15,22H,10-12H2,1-2H3.
What are the key properties of 1-(2,5-dichlorophenoxy)-3-[(3-methoxyphenyl)methyl-methylamino]propan-2-ol?
1-(2,5-dichlorophenoxy)-3-[(3-methoxyphenyl)methyl-methylamino]propan-2-ol has a molecular weight of 370.28 g/mol, XLogP of 3.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenoxy)-3-[(3-methoxyphenyl)methyl-methylamino]propan-2-ol is sourced from PubChem (CID 3891436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).