3-(3,5-dichloro-2-methoxy-N-methylanilino)propan-1-ol

C11H15Cl2NO2 — CID 115216753

IUPAC3-(3,5-dichloro-2-methoxy-N-methylanilino)propan-1-ol
SMILESCOc1c(Cl)cc(Cl)cc1N(C)CCCO
InChIInChI=1S/C11H15Cl2NO2/c1-14(4-3-5-15)10-7-8(12)6-9(13)11(10)16-2/h6-7,15H,3-5H2,1-2H3
InChIKeyNHGMKJOWAYHWMB-UHFFFAOYSA-N
MW264.15 g/mol
LogP2.82
Rot. Bonds5

About 3-(3,5-dichloro-2-methoxy-N-methylanilino)propan-1-ol

3-(3,5-dichloro-2-methoxy-N-methylanilino)propan-1-ol (PubChem CID 115216753) has the molecular formula C11H15Cl2NO2 and a molecular weight of 264.15 g/mol. Its IUPAC name is 3-(3,5-dichloro-2-methoxy-N-methylanilino)propan-1-ol.

Molecular Properties

Compound Name3-(3,5-dichloro-2-methoxy-N-methylanilino)propan-1-ol
PubChem CID115216753
Molecular FormulaC11H15Cl2NO2
Molecular Weight264.15 g/mol
Exact Mass263.05
IUPAC Name3-(3,5-dichloro-2-methoxy-N-methylanilino)propan-1-ol
SMILESCOc1c(Cl)cc(Cl)cc1N(C)CCCO
InChIInChI=1S/C11H15Cl2NO2/c1-14(4-3-5-15)10-7-8(12)6-9(13)11(10)16-2/h6-7,15H,3-5H2,1-2H3
InChIKeyNHGMKJOWAYHWMB-UHFFFAOYSA-N
XLogP2.82
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.15
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-chloro-2-methoxy-N,3-dimethylanilino)propan-1-ol
CID 115216751
N'-(3,5-dichloro-2-methoxyphenyl)-N,N'-dimethylethane-1,2-diamine
CID 96680421
N'-(5-chloro-2-methoxy-3-methylphenyl)-N'-methylbutane-1,4-diamine
CID 115201119
N-(3,5-dichloro-2-methoxyphenyl)-N-methylcarbamoyl chloride
CID 115194513
(3,5-dichloro-2-methoxyphenyl)-methylcyanamide
CID 117043212
2-(5-chloro-2-methoxy-N,3-dimethylanilino)ethanethiol
CID 115223816
3,5-dichloro-N-ethyl-N-(3-hydroxypropyl)-4-methoxybenzamide
CID 115771926
3-chloro-N'-hydroxy-4-[3-hydroxypropyl(methyl)amino]benzenecarboximidamide
CID 114230237
2-(3,5-dichloro-2-methoxyphenyl)ethyl-methylcyanamide
CID 117043509
5-(2,4,6-trichlorophenoxy)pentan-1-ol
CID 62229545
3-(3,4-dichloro-N-methylanilino)propan-1-ol
CID 82116339
(3,5-dichloro-2-methoxyanilino)methanol
CID 115228694

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichloro-2-methoxy-N-methylanilino)propan-1-ol?
The IUPAC name of 3-(3,5-dichloro-2-methoxy-N-methylanilino)propan-1-ol (CID 115216753) is 3-(3,5-dichloro-2-methoxy-N-methylanilino)propan-1-ol.
What is the SMILES notation for 3-(3,5-dichloro-2-methoxy-N-methylanilino)propan-1-ol?
The canonical SMILES for 3-(3,5-dichloro-2-methoxy-N-methylanilino)propan-1-ol is COc1c(Cl)cc(Cl)cc1N(C)CCCO.
What is the InChIKey of 3-(3,5-dichloro-2-methoxy-N-methylanilino)propan-1-ol?
The InChIKey is NHGMKJOWAYHWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO2/c1-14(4-3-5-15)10-7-8(12)6-9(13)11(10)16-2/h6-7,15H,3-5H2,1-2H3.
What are the key properties of 3-(3,5-dichloro-2-methoxy-N-methylanilino)propan-1-ol?
3-(3,5-dichloro-2-methoxy-N-methylanilino)propan-1-ol has a molecular weight of 264.15 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichloro-2-methoxy-N-methylanilino)propan-1-ol is sourced from PubChem (CID 115216753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).