3-(3,4-dichloro-N-methylanilino)propan-1-ol

C10H13Cl2NO — CID 82116339

IUPAC3-(3,4-dichloro-N-methylanilino)propan-1-ol
SMILESCN(CCCO)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H13Cl2NO/c1-13(5-2-6-14)8-3-4-9(11)10(12)7-8/h3-4,7,14H,2,5-6H2,1H3
InChIKeyHIUPSPJMKKMSNG-UHFFFAOYSA-N
MW234.13 g/mol
LogP2.81
Rot. Bonds4

About 3-(3,4-dichloro-N-methylanilino)propan-1-ol

3-(3,4-dichloro-N-methylanilino)propan-1-ol (PubChem CID 82116339) has the molecular formula C10H13Cl2NO and a molecular weight of 234.13 g/mol. Its IUPAC name is 3-(3,4-dichloro-N-methylanilino)propan-1-ol.

Molecular Properties

Compound Name3-(3,4-dichloro-N-methylanilino)propan-1-ol
PubChem CID82116339
Molecular FormulaC10H13Cl2NO
Molecular Weight234.13 g/mol
Exact Mass233.04
IUPAC Name3-(3,4-dichloro-N-methylanilino)propan-1-ol
SMILESCN(CCCO)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H13Cl2NO/c1-13(5-2-6-14)8-3-4-9(11)10(12)7-8/h3-4,7,14H,2,5-6H2,1H3
InChIKeyHIUPSPJMKKMSNG-UHFFFAOYSA-N
XLogP2.81
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.13
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(3,4-dichlorophenyl)-N'-methylpropane-1,3-diamine
CID 28772810
2-chloro-N'-hydroxy-4-[5-hydroxypentyl(methyl)amino]benzenecarboximidamide
CID 107200030
3-(3,4-difluoro-N-methylanilino)propan-1-ol
CID 110903439
N-(3,4-dichlorophenyl)-N',N'-diethyl-N-methylethane-1,2-diamine
CID 23317090
3,4-dichloro-N-ethyl-N-methylaniline
CID 59726249
3-(3-bromo-N,4-dimethylanilino)propan-1-ol
CID 82120880
3-(4-tert-butyl-N-methylanilino)propan-1-ol
CID 94258791
2-chloro-N'-hydroxy-4-[2-hydroxyethyl(methyl)amino]benzenecarboximidamide
CID 76981406
3-(4-amino-3-ethyl-N-methylanilino)propan-1-ol
CID 22706869
1-(3,4-dichlorophenyl)-1-(2-hydroxyethyl)-3,3-dimethylurea
CID 154198928
2-chloro-4-[2-hydroxyethyl(methyl)amino]benzonitrile
CID 62944238
3-(3,4-dichlorophenyl)-1-(3-hydroxypropyl)-1-methylurea
CID 114230641

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichloro-N-methylanilino)propan-1-ol?
The IUPAC name of 3-(3,4-dichloro-N-methylanilino)propan-1-ol (CID 82116339) is 3-(3,4-dichloro-N-methylanilino)propan-1-ol.
What is the SMILES notation for 3-(3,4-dichloro-N-methylanilino)propan-1-ol?
The canonical SMILES for 3-(3,4-dichloro-N-methylanilino)propan-1-ol is CN(CCCO)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-(3,4-dichloro-N-methylanilino)propan-1-ol?
The InChIKey is HIUPSPJMKKMSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2NO/c1-13(5-2-6-14)8-3-4-9(11)10(12)7-8/h3-4,7,14H,2,5-6H2,1H3.
What are the key properties of 3-(3,4-dichloro-N-methylanilino)propan-1-ol?
3-(3,4-dichloro-N-methylanilino)propan-1-ol has a molecular weight of 234.13 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichloro-N-methylanilino)propan-1-ol is sourced from PubChem (CID 82116339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).