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

C13H19Cl2NO — CID 103708139

IUPAC4-[(2,4-dichlorophenyl)methylamino]-3,3-dimethylbutan-1-ol
SMILESCC(C)(CCO)CNCc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H19Cl2NO/c1-13(2,5-6-17)9-16-8-10-3-4-11(14)7-12(10)15/h3-4,7,16-17H,5-6,8-9H2,1-2H3
InChIKeyFLGVMRNXUCRFJH-UHFFFAOYSA-N
MW276.21 g/mol
LogP3.49
Rot. Bonds6

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

4-[(2,4-dichlorophenyl)methylamino]-3,3-dimethylbutan-1-ol (PubChem CID 103708139) has the molecular formula C13H19Cl2NO and a molecular weight of 276.21 g/mol. Its IUPAC name is 4-[(2,4-dichlorophenyl)methylamino]-3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name4-[(2,4-dichlorophenyl)methylamino]-3,3-dimethylbutan-1-ol
PubChem CID103708139
Molecular FormulaC13H19Cl2NO
Molecular Weight276.21 g/mol
Exact Mass275.08
IUPAC Name4-[(2,4-dichlorophenyl)methylamino]-3,3-dimethylbutan-1-ol
SMILESCC(C)(CCO)CNCc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H19Cl2NO/c1-13(2,5-6-17)9-16-8-10-3-4-11(14)7-12(10)15/h3-4,7,16-17H,5-6,8-9H2,1-2H3
InChIKeyFLGVMRNXUCRFJH-UHFFFAOYSA-N
XLogP3.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-bromo-2-chlorophenyl)methylamino]-3,3-dimethylbutan-1-ol
CID 103708043
4-[(5-bromo-2-chlorophenyl)methylamino]-3,3-dimethylbutan-1-ol
CID 103793251
1-N-[(2,4-dichlorophenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine
CID 115222295
N-[(2,4-dichlorophenyl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine
CID 115664557
1-N-[(2,4-dichlorophenyl)methyl]-3-methylbutane-1,3-diamine
CID 115200655
5-[(4-chloro-2-nitrophenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 106147216
3-chloro-N-[(2-chloro-4-methylphenyl)methyl]-2,2-dimethylpropan-1-amine
CID 106869881
2-chloro-4-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]phenol
CID 113245011
2-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]-4-methylphenol
CID 103708054
4-chloro-2-[(2,2-dimethylbutylamino)methyl]phenol
CID 103460689
3-fluoro-N'-hydroxy-4-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]benzenecarboximidamide
CID 106148635
tert-butyl N-[1-[(2,4-dichlorophenyl)methylamino]-2-methylpropan-2-yl]carbamate
CID 107249857

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dichlorophenyl)methylamino]-3,3-dimethylbutan-1-ol?
The IUPAC name of 4-[(2,4-dichlorophenyl)methylamino]-3,3-dimethylbutan-1-ol (CID 103708139) is 4-[(2,4-dichlorophenyl)methylamino]-3,3-dimethylbutan-1-ol.
What is the SMILES notation for 4-[(2,4-dichlorophenyl)methylamino]-3,3-dimethylbutan-1-ol?
The canonical SMILES for 4-[(2,4-dichlorophenyl)methylamino]-3,3-dimethylbutan-1-ol is CC(C)(CCO)CNCc1ccc(Cl)cc1Cl.
What is the InChIKey of 4-[(2,4-dichlorophenyl)methylamino]-3,3-dimethylbutan-1-ol?
The InChIKey is FLGVMRNXUCRFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2NO/c1-13(2,5-6-17)9-16-8-10-3-4-11(14)7-12(10)15/h3-4,7,16-17H,5-6,8-9H2,1-2H3.
What are the key properties of 4-[(2,4-dichlorophenyl)methylamino]-3,3-dimethylbutan-1-ol?
4-[(2,4-dichlorophenyl)methylamino]-3,3-dimethylbutan-1-ol has a molecular weight of 276.21 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dichlorophenyl)methylamino]-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 103708139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).