6-(3,4-dichlorophenyl)-3,6-dimethyl-7-(methylamino)heptan-3-ol

C16H25Cl2NO — CID 123305021

IUPAC6-(3,4-dichlorophenyl)-3,6-dimethyl-7-(methylamino)heptan-3-ol
SMILESCCC(C)(O)CCC(C)(CNC)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H25Cl2NO/c1-5-16(3,20)9-8-15(2,11-19-4)12-6-7-13(17)14(18)10-12/h6-7,10,19-20H,5,8-9,11H2,1-4H3
InChIKeyCEDKFUUCKFKZKI-UHFFFAOYSA-N
MW318.29 g/mol
LogP4.41
Rot. Bonds7

About 6-(3,4-dichlorophenyl)-3,6-dimethyl-7-(methylamino)heptan-3-ol

6-(3,4-dichlorophenyl)-3,6-dimethyl-7-(methylamino)heptan-3-ol (PubChem CID 123305021) has the molecular formula C16H25Cl2NO and a molecular weight of 318.29 g/mol. Its IUPAC name is 6-(3,4-dichlorophenyl)-3,6-dimethyl-7-(methylamino)heptan-3-ol.

Molecular Properties

Compound Name6-(3,4-dichlorophenyl)-3,6-dimethyl-7-(methylamino)heptan-3-ol
PubChem CID123305021
Molecular FormulaC16H25Cl2NO
Molecular Weight318.29 g/mol
Exact Mass317.13
IUPAC Name6-(3,4-dichlorophenyl)-3,6-dimethyl-7-(methylamino)heptan-3-ol
SMILESCCC(C)(O)CCC(C)(CNC)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H25Cl2NO/c1-5-16(3,20)9-8-15(2,11-19-4)12-6-7-13(17)14(18)10-12/h6-7,10,19-20H,5,8-9,11H2,1-4H3
InChIKeyCEDKFUUCKFKZKI-UHFFFAOYSA-N
XLogP4.41
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.29
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(3,4-Dichloro-phenyl)-2-dimethylamino-ethyl]-cyclohexanol(HCl)
CID 146431
2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethanol
CID 29938807
3-(3,4-Dichlorophenyl)-3-[(dimethylamino)methyl]cyclohexan-1-ol
CID 58954830
4-(3,4-Dichlorophenyl)-4-((dimethylamino)methyl)-1-methylcyclohexanol
CID 58954867
4-(Aminomethyl)-4-(3,4-dichlorophenyl)-1-methylcyclohexan-1-ol
CID 58954945
2-[(3R)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethanol
CID 68653619
4-(3,4-Dichlorophenyl)-1-methyl-4-(methylaminomethyl)cyclohexan-1-ol
CID 68673707
[4-(3,4-Dichlorophenyl)azepan-4-yl]methanol;hydrochloride
CID 122181784
2-[(3S)-3-(3,4-dichlorophenyl)azepan-3-yl]ethanol
CID 71718185
2-[(3R)-3-(3,4-dichlorophenyl)azepan-3-yl]ethanol
CID 71719830
4-(Aminomethyl)-4-(3,4-dichlorophenyl)cyclohexanol
CID 24730055
4-(3,4-Dichlorophenyl)-4-[(dimethylamino)methyl]cyclohexan-1-ol
CID 45026961

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dichlorophenyl)-3,6-dimethyl-7-(methylamino)heptan-3-ol?
The IUPAC name of 6-(3,4-dichlorophenyl)-3,6-dimethyl-7-(methylamino)heptan-3-ol (CID 123305021) is 6-(3,4-dichlorophenyl)-3,6-dimethyl-7-(methylamino)heptan-3-ol.
What is the SMILES notation for 6-(3,4-dichlorophenyl)-3,6-dimethyl-7-(methylamino)heptan-3-ol?
The canonical SMILES for 6-(3,4-dichlorophenyl)-3,6-dimethyl-7-(methylamino)heptan-3-ol is CCC(C)(O)CCC(C)(CNC)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 6-(3,4-dichlorophenyl)-3,6-dimethyl-7-(methylamino)heptan-3-ol?
The InChIKey is CEDKFUUCKFKZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25Cl2NO/c1-5-16(3,20)9-8-15(2,11-19-4)12-6-7-13(17)14(18)10-12/h6-7,10,19-20H,5,8-9,11H2,1-4H3.
What are the key properties of 6-(3,4-dichlorophenyl)-3,6-dimethyl-7-(methylamino)heptan-3-ol?
6-(3,4-dichlorophenyl)-3,6-dimethyl-7-(methylamino)heptan-3-ol has a molecular weight of 318.29 g/mol, XLogP of 4.41, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dichlorophenyl)-3,6-dimethyl-7-(methylamino)heptan-3-ol is sourced from PubChem (CID 123305021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).