1-[bis(4-chlorophenyl)methoxy]-3-(dimethylamino)propan-2-ol

C18H21Cl2NO2 — CID 4214017

IUPAC1-[bis(4-chlorophenyl)methoxy]-3-(dimethylamino)propan-2-ol
SMILESCN(C)CC(O)COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H21Cl2NO2/c1-21(2)11-17(22)12-23-18(13-3-7-15(19)8-4-13)14-5-9-16(20)10-6-14/h3-10,17-18,22H,11-12H2,1-2H3
InChIKeyAICNPCABIMNBQK-UHFFFAOYSA-N
MW354.28 g/mol
LogP4.02
Rot. Bonds7

About 1-[bis(4-chlorophenyl)methoxy]-3-(dimethylamino)propan-2-ol

1-[bis(4-chlorophenyl)methoxy]-3-(dimethylamino)propan-2-ol (PubChem CID 4214017) has the molecular formula C18H21Cl2NO2 and a molecular weight of 354.28 g/mol. Its IUPAC name is 1-[bis(4-chlorophenyl)methoxy]-3-(dimethylamino)propan-2-ol.

Molecular Properties

Compound Name1-[bis(4-chlorophenyl)methoxy]-3-(dimethylamino)propan-2-ol
PubChem CID4214017
Molecular FormulaC18H21Cl2NO2
Molecular Weight354.28 g/mol
Exact Mass353.09
IUPAC Name1-[bis(4-chlorophenyl)methoxy]-3-(dimethylamino)propan-2-ol
SMILESCN(C)CC(O)COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H21Cl2NO2/c1-21(2)11-17(22)12-23-18(13-3-7-15(19)8-4-13)14-5-9-16(20)10-6-14/h3-10,17-18,22H,11-12H2,1-2H3
InChIKeyAICNPCABIMNBQK-UHFFFAOYSA-N
XLogP4.02
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.28
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Clofenciclan
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Levocloperastine
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3-((4-Chlorophenyl)phenylmethoxy)-1-methylpyrrolidine
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1-[1-(4-Chlorophenyl)ethoxy]-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-2-ol
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1-Benzhydryloxy-3-(diethylamino)propan-2-ol
CID 4963216
1-(Benzylamino)-3-[(4-chlorophenyl)methoxy]propan-2-ol;hydrochloride
CID 16196687

Frequently Asked Questions

What is the IUPAC name of 1-[bis(4-chlorophenyl)methoxy]-3-(dimethylamino)propan-2-ol?
The IUPAC name of 1-[bis(4-chlorophenyl)methoxy]-3-(dimethylamino)propan-2-ol (CID 4214017) is 1-[bis(4-chlorophenyl)methoxy]-3-(dimethylamino)propan-2-ol.
What is the SMILES notation for 1-[bis(4-chlorophenyl)methoxy]-3-(dimethylamino)propan-2-ol?
The canonical SMILES for 1-[bis(4-chlorophenyl)methoxy]-3-(dimethylamino)propan-2-ol is CN(C)CC(O)COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-[bis(4-chlorophenyl)methoxy]-3-(dimethylamino)propan-2-ol?
The InChIKey is AICNPCABIMNBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2NO2/c1-21(2)11-17(22)12-23-18(13-3-7-15(19)8-4-13)14-5-9-16(20)10-6-14/h3-10,17-18,22H,11-12H2,1-2H3.
What are the key properties of 1-[bis(4-chlorophenyl)methoxy]-3-(dimethylamino)propan-2-ol?
1-[bis(4-chlorophenyl)methoxy]-3-(dimethylamino)propan-2-ol has a molecular weight of 354.28 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(4-chlorophenyl)methoxy]-3-(dimethylamino)propan-2-ol is sourced from PubChem (CID 4214017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).