1-(2-chlorophenoxy)-3-[2-(4-chlorophenoxy)ethyl-methylamino]propan-2-ol

C18H21Cl2NO3 — CID 112768273

IUPAC1-(2-chlorophenoxy)-3-[2-(4-chlorophenoxy)ethyl-methylamino]propan-2-ol
SMILESCN(CCOc1ccc(Cl)cc1)CC(O)COc1ccccc1Cl
InChIInChI=1S/C18H21Cl2NO3/c1-21(10-11-23-16-8-6-14(19)7-9-16)12-15(22)13-24-18-5-3-2-4-17(18)20/h2-9,15,22H,10-13H2,1H3
InChIKeyJWXOAYKFIXKNRB-UHFFFAOYSA-N
MW370.28 g/mol
LogP3.74
Rot. Bonds9

About 1-(2-chlorophenoxy)-3-[2-(4-chlorophenoxy)ethyl-methylamino]propan-2-ol

1-(2-chlorophenoxy)-3-[2-(4-chlorophenoxy)ethyl-methylamino]propan-2-ol (PubChem CID 112768273) has the molecular formula C18H21Cl2NO3 and a molecular weight of 370.28 g/mol. Its IUPAC name is 1-(2-chlorophenoxy)-3-[2-(4-chlorophenoxy)ethyl-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-(2-chlorophenoxy)-3-[2-(4-chlorophenoxy)ethyl-methylamino]propan-2-ol
PubChem CID112768273
Molecular FormulaC18H21Cl2NO3
Molecular Weight370.28 g/mol
Exact Mass369.09
IUPAC Name1-(2-chlorophenoxy)-3-[2-(4-chlorophenoxy)ethyl-methylamino]propan-2-ol
SMILESCN(CCOc1ccc(Cl)cc1)CC(O)COc1ccccc1Cl
InChIInChI=1S/C18H21Cl2NO3/c1-21(10-11-23-16-8-6-14(19)7-9-16)12-15(22)13-24-18-5-3-2-4-17(18)20/h2-9,15,22H,10-13H2,1H3
InChIKeyJWXOAYKFIXKNRB-UHFFFAOYSA-N
XLogP3.74
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.28
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(2-chlorophenoxy)-3-(dimethylamino)propan-2-ol
CID 40540867
(1S)-2-[2-(4-chlorophenoxy)ethyl-methylamino]-1-phenylethanol
CID 2106515
1-[2-(2,4-dichlorophenoxy)ethyl-methylamino]-3-methoxypropan-2-ol
CID 62014390
1-[methyl-[2-(4-methylphenoxy)ethyl]amino]-3-(4-phenylphenoxy)propan-2-ol
CID 18278682
(2R)-1-(2-chlorophenoxy)-3-(diethylamino)propan-2-ol
CID 7185787
1-[2-(2,6-dichlorophenoxy)ethyl-methylamino]-3-methoxypropan-2-ol
CID 62014776
1-[bis(2-methylpropyl)amino]-3-(2-chlorophenoxy)propan-2-ol
CID 2914248
1-[2-(4-aminophenoxy)ethyl-methylamino]-3-methoxypropan-2-ol
CID 54994996
1-[2-hydroxyethyl(methyl)amino]-3-[4-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propoxy]phenoxy]propan-2-ol
CID 3638612
2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]-methylamino]-N-(3-chlorophenyl)acetamide
CID 112820790
4-[(2S)-3-[2-(4-bromophenoxy)ethyl-methylamino]-2-hydroxypropoxy]benzonitrile
CID 9166143
2-[[3-(4-chlorophenoxy)-2-hydroxypropyl]-methylamino]-N-phenylacetamide
CID 110888444

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenoxy)-3-[2-(4-chlorophenoxy)ethyl-methylamino]propan-2-ol?
The IUPAC name of 1-(2-chlorophenoxy)-3-[2-(4-chlorophenoxy)ethyl-methylamino]propan-2-ol (CID 112768273) is 1-(2-chlorophenoxy)-3-[2-(4-chlorophenoxy)ethyl-methylamino]propan-2-ol.
What is the SMILES notation for 1-(2-chlorophenoxy)-3-[2-(4-chlorophenoxy)ethyl-methylamino]propan-2-ol?
The canonical SMILES for 1-(2-chlorophenoxy)-3-[2-(4-chlorophenoxy)ethyl-methylamino]propan-2-ol is CN(CCOc1ccc(Cl)cc1)CC(O)COc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenoxy)-3-[2-(4-chlorophenoxy)ethyl-methylamino]propan-2-ol?
The InChIKey is JWXOAYKFIXKNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2NO3/c1-21(10-11-23-16-8-6-14(19)7-9-16)12-15(22)13-24-18-5-3-2-4-17(18)20/h2-9,15,22H,10-13H2,1H3.
What are the key properties of 1-(2-chlorophenoxy)-3-[2-(4-chlorophenoxy)ethyl-methylamino]propan-2-ol?
1-(2-chlorophenoxy)-3-[2-(4-chlorophenoxy)ethyl-methylamino]propan-2-ol has a molecular weight of 370.28 g/mol, XLogP of 3.74, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenoxy)-3-[2-(4-chlorophenoxy)ethyl-methylamino]propan-2-ol is sourced from PubChem (CID 112768273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).