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

C13H19Cl2NO — CID 103911833

IUPAC3-[(3,4-dichlorophenyl)methylamino]-2,3-dimethylbutan-2-ol
SMILESCC(C)(O)C(C)(C)NCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H19Cl2NO/c1-12(2,13(3,4)17)16-8-9-5-6-10(14)11(15)7-9/h5-7,16-17H,8H2,1-4H3
InChIKeyILBLMEVLWLOTEI-UHFFFAOYSA-N
MW276.21 g/mol
LogP3.63
Rot. Bonds4

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

3-[(3,4-dichlorophenyl)methylamino]-2,3-dimethylbutan-2-ol (PubChem CID 103911833) has the molecular formula C13H19Cl2NO and a molecular weight of 276.21 g/mol. Its IUPAC name is 3-[(3,4-dichlorophenyl)methylamino]-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name3-[(3,4-dichlorophenyl)methylamino]-2,3-dimethylbutan-2-ol
PubChem CID103911833
Molecular FormulaC13H19Cl2NO
Molecular Weight276.21 g/mol
Exact Mass275.08
IUPAC Name3-[(3,4-dichlorophenyl)methylamino]-2,3-dimethylbutan-2-ol
SMILESCC(C)(O)C(C)(C)NCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H19Cl2NO/c1-12(2,13(3,4)17)16-8-9-5-6-10(14)11(15)7-9/h5-7,16-17H,8H2,1-4H3
InChIKeyILBLMEVLWLOTEI-UHFFFAOYSA-N
XLogP3.63
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3,4-dichlorophenyl)methylamino]-2-methylbutanoic acid
CID 79791567
2,3-dimethyl-3-(pyridin-4-ylmethylamino)butan-2-ol
CID 103911941
1-[(3,4-dichlorophenyl)methylamino]-2-methylbutan-2-ol
CID 63680596
3-[(3,4-dichlorophenyl)methylamino]-2-methylpropane-1,2-diol
CID 66170447
2,3-dimethyl-3-(quinolin-6-ylmethylamino)butan-2-ol
CID 104881406
1-[(3,4-dichlorophenyl)methylamino]-3-methylpentan-3-ol
CID 138516209
3-[[4-(difluoromethyl)phenyl]methylamino]-2,3-dimethylbutan-2-ol
CID 104709064
4-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]benzonitrile
CID 103911853
N-[(3-chloro-4-methylphenyl)methyl]-2-methylpropan-2-amine
CID 63195230
1-(3,4-dichlorophenyl)-N-iodomethanamine
CID 126576131
3-[(4-chloro-3-fluorophenyl)methylamino]-3-methylbutan-1-ol
CID 111469040
2-[(3-chloro-4-fluorophenyl)methylamino]-2-methylpropan-1-ol
CID 75355894

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dichlorophenyl)methylamino]-2,3-dimethylbutan-2-ol?
The IUPAC name of 3-[(3,4-dichlorophenyl)methylamino]-2,3-dimethylbutan-2-ol (CID 103911833) is 3-[(3,4-dichlorophenyl)methylamino]-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 3-[(3,4-dichlorophenyl)methylamino]-2,3-dimethylbutan-2-ol?
The canonical SMILES for 3-[(3,4-dichlorophenyl)methylamino]-2,3-dimethylbutan-2-ol is CC(C)(O)C(C)(C)NCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-[(3,4-dichlorophenyl)methylamino]-2,3-dimethylbutan-2-ol?
The InChIKey is ILBLMEVLWLOTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2NO/c1-12(2,13(3,4)17)16-8-9-5-6-10(14)11(15)7-9/h5-7,16-17H,8H2,1-4H3.
What are the key properties of 3-[(3,4-dichlorophenyl)methylamino]-2,3-dimethylbutan-2-ol?
3-[(3,4-dichlorophenyl)methylamino]-2,3-dimethylbutan-2-ol has a molecular weight of 276.21 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dichlorophenyl)methylamino]-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 103911833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).