1-[(3,4-dichlorophenyl)methylamino]-2-methylbutan-2-ol

C12H17Cl2NO — CID 63680596

IUPAC1-[(3,4-dichlorophenyl)methylamino]-2-methylbutan-2-ol
SMILESCCC(C)(O)CNCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H17Cl2NO/c1-3-12(2,16)8-15-7-9-4-5-10(13)11(14)6-9/h4-6,15-16H,3,7-8H2,1-2H3
InChIKeyYPLWQZOPUXWCPB-UHFFFAOYSA-N
MW262.18 g/mol
LogP3.24
Rot. Bonds5

About 1-[(3,4-dichlorophenyl)methylamino]-2-methylbutan-2-ol

1-[(3,4-dichlorophenyl)methylamino]-2-methylbutan-2-ol (PubChem CID 63680596) has the molecular formula C12H17Cl2NO and a molecular weight of 262.18 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methylamino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methylamino]-2-methylbutan-2-ol
PubChem CID63680596
Molecular FormulaC12H17Cl2NO
Molecular Weight262.18 g/mol
Exact Mass261.07
IUPAC Name1-[(3,4-dichlorophenyl)methylamino]-2-methylbutan-2-ol
SMILESCCC(C)(O)CNCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H17Cl2NO/c1-3-12(2,16)8-15-7-9-4-5-10(13)11(14)6-9/h4-6,15-16H,3,7-8H2,1-2H3
InChIKeyYPLWQZOPUXWCPB-UHFFFAOYSA-N
XLogP3.24
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.18
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3,4-dichlorophenyl)methylamino]-2-methylpropane-1,2-diol
CID 66170447
1-[(3,4-dichlorophenyl)methylamino]-3-methylpentan-3-ol
CID 138516209
1-[(2-chloro-5-fluorophenyl)methylamino]-2-methylbutan-2-ol
CID 102615748
1-[(4-iodophenyl)methylamino]-2-methylbutan-2-ol
CID 65478827
3-[(3-bromo-4-chlorophenyl)methylamino]-2-methylpropane-1,2-diol
CID 83231093
1-[(6-methoxynaphthalen-2-yl)methylamino]-2-methylbutan-2-ol
CID 63679069
1-(1,3-benzodioxol-5-ylmethylamino)-2-methylbutan-2-ol
CID 65107806
1-[(3-chloro-4-methylphenyl)methylamino]-2-methylpropan-2-ol
CID 106816878
1-[(2-chloro-4-methylphenyl)methylamino]-2-methylbutan-2-ol
CID 106862763
1-[[4-chloro-3-(trifluoromethyl)phenyl]methylamino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 111437022
3-[(3,4-dichlorophenyl)methylamino]-2,3-dimethylbutan-2-ol
CID 103911833
4-[[(2-hydroxy-2-methylbutyl)amino]methyl]-2,6-dimethylphenol
CID 65108006

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methylamino]-2-methylbutan-2-ol?
The IUPAC name of 1-[(3,4-dichlorophenyl)methylamino]-2-methylbutan-2-ol (CID 63680596) is 1-[(3,4-dichlorophenyl)methylamino]-2-methylbutan-2-ol.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methylamino]-2-methylbutan-2-ol?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methylamino]-2-methylbutan-2-ol is CCC(C)(O)CNCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methylamino]-2-methylbutan-2-ol?
The InChIKey is YPLWQZOPUXWCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NO/c1-3-12(2,16)8-15-7-9-4-5-10(13)11(14)6-9/h4-6,15-16H,3,7-8H2,1-2H3.
What are the key properties of 1-[(3,4-dichlorophenyl)methylamino]-2-methylbutan-2-ol?
1-[(3,4-dichlorophenyl)methylamino]-2-methylbutan-2-ol has a molecular weight of 262.18 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)methylamino]-2-methylbutan-2-ol is sourced from PubChem (CID 63680596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).