3-(2,5-dichlorophenyl)-3-(methylamino)propan-1-ol

C10H13Cl2NO — CID 64813241

IUPAC3-(2,5-dichlorophenyl)-3-(methylamino)propan-1-ol
SMILESCNC(CCO)c1cc(Cl)ccc1Cl
InChIInChI=1S/C10H13Cl2NO/c1-13-10(4-5-14)8-6-7(11)2-3-9(8)12/h2-3,6,10,13-14H,4-5H2,1H3
InChIKeyWTFNHDGMGXRHOH-UHFFFAOYSA-N
MW234.13 g/mol
LogP2.64
Rot. Bonds4

About 3-(2,5-dichlorophenyl)-3-(methylamino)propan-1-ol

3-(2,5-dichlorophenyl)-3-(methylamino)propan-1-ol (PubChem CID 64813241) has the molecular formula C10H13Cl2NO and a molecular weight of 234.13 g/mol. Its IUPAC name is 3-(2,5-dichlorophenyl)-3-(methylamino)propan-1-ol.

Molecular Properties

Compound Name3-(2,5-dichlorophenyl)-3-(methylamino)propan-1-ol
PubChem CID64813241
Molecular FormulaC10H13Cl2NO
Molecular Weight234.13 g/mol
Exact Mass233.04
IUPAC Name3-(2,5-dichlorophenyl)-3-(methylamino)propan-1-ol
SMILESCNC(CCO)c1cc(Cl)ccc1Cl
InChIInChI=1S/C10H13Cl2NO/c1-13-10(4-5-14)8-6-7(11)2-3-9(8)12/h2-3,6,10,13-14H,4-5H2,1H3
InChIKeyWTFNHDGMGXRHOH-UHFFFAOYSA-N
XLogP2.64
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.13
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dichlorophenyl)-N-methylbutan-1-amine
CID 43486635
1-(2,5-dichlorophenyl)-N-methylhexan-1-amine
CID 43486640
1-(2,5-dichlorophenyl)-N-methylnonan-1-amine
CID 65449520
1-(2,5-dichlorophenyl)-N-methyldecan-1-amine
CID 65449519
1-(2,5-dichlorophenyl)-2-ethylsulfanyl-N-methylethanamine
CID 65128210
3-(3,4-dichlorophenyl)-3-(methylamino)propan-1-ol
CID 64814917
1-(2,5-dichlorophenyl)-2-(1,3-dioxolan-2-yl)-N-methylethanamine
CID 103546664
2-(3-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine
CID 63412206
2-(2-chloro-5-fluorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine
CID 102622559
1-(2,5-dichlorophenyl)-N-methyl-2-propylsulfanylethanamine
CID 65129380
[1-(2,5-dichlorophenyl)-4-methylpentyl]hydrazine
CID 105207581
1-(2,5-dichlorophenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207255

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dichlorophenyl)-3-(methylamino)propan-1-ol?
The IUPAC name of 3-(2,5-dichlorophenyl)-3-(methylamino)propan-1-ol (CID 64813241) is 3-(2,5-dichlorophenyl)-3-(methylamino)propan-1-ol.
What is the SMILES notation for 3-(2,5-dichlorophenyl)-3-(methylamino)propan-1-ol?
The canonical SMILES for 3-(2,5-dichlorophenyl)-3-(methylamino)propan-1-ol is CNC(CCO)c1cc(Cl)ccc1Cl.
What is the InChIKey of 3-(2,5-dichlorophenyl)-3-(methylamino)propan-1-ol?
The InChIKey is WTFNHDGMGXRHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2NO/c1-13-10(4-5-14)8-6-7(11)2-3-9(8)12/h2-3,6,10,13-14H,4-5H2,1H3.
What are the key properties of 3-(2,5-dichlorophenyl)-3-(methylamino)propan-1-ol?
3-(2,5-dichlorophenyl)-3-(methylamino)propan-1-ol has a molecular weight of 234.13 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dichlorophenyl)-3-(methylamino)propan-1-ol is sourced from PubChem (CID 64813241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).