3-(3-chloro-6-methoxy-2,4-dimethylphenyl)-3-(dimethylamino)-2-methylpropan-1-ol

C15H24ClNO2 — CID 83938113

IUPAC3-(3-chloro-6-methoxy-2,4-dimethylphenyl)-3-(dimethylamino)-2-methylpropan-1-ol
SMILESCOc1cc(C)c(Cl)c(C)c1C(C(C)CO)N(C)C
InChIInChI=1S/C15H24ClNO2/c1-9-7-12(19-6)13(11(3)14(9)16)15(17(4)5)10(2)8-18/h7,10,15,18H,8H2,1-6H3
InChIKeyXAVKBDFQCFZMCM-UHFFFAOYSA-N
MW285.81 g/mol
LogP3.20
Rot. Bonds5

About 3-(3-chloro-6-methoxy-2,4-dimethylphenyl)-3-(dimethylamino)-2-methylpropan-1-ol

3-(3-chloro-6-methoxy-2,4-dimethylphenyl)-3-(dimethylamino)-2-methylpropan-1-ol (PubChem CID 83938113) has the molecular formula C15H24ClNO2 and a molecular weight of 285.81 g/mol. Its IUPAC name is 3-(3-chloro-6-methoxy-2,4-dimethylphenyl)-3-(dimethylamino)-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-(3-chloro-6-methoxy-2,4-dimethylphenyl)-3-(dimethylamino)-2-methylpropan-1-ol
PubChem CID83938113
Molecular FormulaC15H24ClNO2
Molecular Weight285.81 g/mol
Exact Mass285.15
IUPAC Name3-(3-chloro-6-methoxy-2,4-dimethylphenyl)-3-(dimethylamino)-2-methylpropan-1-ol
SMILESCOc1cc(C)c(Cl)c(C)c1C(C(C)CO)N(C)C
InChIInChI=1S/C15H24ClNO2/c1-9-7-12(19-6)13(11(3)14(9)16)15(17(4)5)10(2)8-18/h7,10,15,18H,8H2,1-6H3
InChIKeyXAVKBDFQCFZMCM-UHFFFAOYSA-N
XLogP3.20
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.81
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(dimethylamino)-3-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropan-1-ol
CID 83939317
1-(3-chloro-6-methoxy-2,4-dimethylphenyl)propane-1,3-diol
CID 82294523
2-chloro-1-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethanamine
CID 116937561
1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-(methylamino)propan-1-ol
CID 82300220
2-chloro-1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-methylethanamine
CID 116952629
3-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-methylbutanethioamide
CID 83938124
3-(dimethylamino)-3-(4-methoxy-3-propan-2-ylphenyl)-2-methylpropan-1-ol
CID 83926821
2-(3-chloro-6-methoxy-2,4-dimethylphenyl)propanehydrazide
CID 116843880
3-(dimethylamino)-3-(5-ethyl-2-methoxyphenyl)-2-methylpropan-1-ol
CID 83942689
2-chloro-3-(1-hydroxypropan-2-yl)-6-methoxy-4-methylphenol
CID 117333428
2-amino-3-(dimethylamino)-3-(2-methoxy-4,6-dimethylphenyl)propan-1-ol
CID 116911605
2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-(methylamino)acetic acid
CID 82483238

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-6-methoxy-2,4-dimethylphenyl)-3-(dimethylamino)-2-methylpropan-1-ol?
The IUPAC name of 3-(3-chloro-6-methoxy-2,4-dimethylphenyl)-3-(dimethylamino)-2-methylpropan-1-ol (CID 83938113) is 3-(3-chloro-6-methoxy-2,4-dimethylphenyl)-3-(dimethylamino)-2-methylpropan-1-ol.
What is the SMILES notation for 3-(3-chloro-6-methoxy-2,4-dimethylphenyl)-3-(dimethylamino)-2-methylpropan-1-ol?
The canonical SMILES for 3-(3-chloro-6-methoxy-2,4-dimethylphenyl)-3-(dimethylamino)-2-methylpropan-1-ol is COc1cc(C)c(Cl)c(C)c1C(C(C)CO)N(C)C.
What is the InChIKey of 3-(3-chloro-6-methoxy-2,4-dimethylphenyl)-3-(dimethylamino)-2-methylpropan-1-ol?
The InChIKey is XAVKBDFQCFZMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO2/c1-9-7-12(19-6)13(11(3)14(9)16)15(17(4)5)10(2)8-18/h7,10,15,18H,8H2,1-6H3.
What are the key properties of 3-(3-chloro-6-methoxy-2,4-dimethylphenyl)-3-(dimethylamino)-2-methylpropan-1-ol?
3-(3-chloro-6-methoxy-2,4-dimethylphenyl)-3-(dimethylamino)-2-methylpropan-1-ol has a molecular weight of 285.81 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-6-methoxy-2,4-dimethylphenyl)-3-(dimethylamino)-2-methylpropan-1-ol is sourced from PubChem (CID 83938113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).