1-(2,4-dichlorophenyl)-3,3-dimethylbutan-2-amine

C12H17Cl2N — CID 62395202

IUPAC1-(2,4-dichlorophenyl)-3,3-dimethylbutan-2-amine
SMILESCC(C)(C)C(N)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H17Cl2N/c1-12(2,3)11(15)6-8-4-5-9(13)7-10(8)14/h4-5,7,11H,6,15H2,1-3H3
InChIKeyBEISWZDAOKLDGB-UHFFFAOYSA-N
MW246.18 g/mol
LogP3.91
Rot. Bonds2

About 1-(2,4-dichlorophenyl)-3,3-dimethylbutan-2-amine

1-(2,4-dichlorophenyl)-3,3-dimethylbutan-2-amine (PubChem CID 62395202) has the molecular formula C12H17Cl2N and a molecular weight of 246.18 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-3,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-3,3-dimethylbutan-2-amine
PubChem CID62395202
Molecular FormulaC12H17Cl2N
Molecular Weight246.18 g/mol
Exact Mass245.07
IUPAC Name1-(2,4-dichlorophenyl)-3,3-dimethylbutan-2-amine
SMILESCC(C)(C)C(N)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H17Cl2N/c1-12(2,3)11(15)6-8-4-5-9(13)7-10(8)14/h4-5,7,11H,6,15H2,1-3H3
InChIKeyBEISWZDAOKLDGB-UHFFFAOYSA-N
XLogP3.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.18
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-dichlorophenyl)-3,3-dimethylpentan-2-amine
CID 115840191
1-(2,4-dichlorophenyl)-3-methoxy-3-methylbutan-2-amine
CID 79197770
1-[2-(bromomethyl)-3,3-dimethylbutyl]-2,4-dichlorobenzene
CID 83142051
2-amino-3-(2,4-dichlorophenyl)propan-1-ol
CID 22285002
2-(2,4-dichlorophenyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 63414213
(2S)-2-amino-N-[1-(2,4-dichlorophenyl)propan-2-yl]-3,3-dimethylbutanamide;hydrochloride
CID 119757977
1-(2,4-difluorophenyl)-3,3-dimethylbutan-2-amine
CID 62195909
2-[(2,4-dichlorophenyl)methyl]-3-methylbutan-1-ol
CID 66059189
4-[1-amino-2-(2,4-dichlorophenyl)ethyl]-N,N-dimethylaniline
CID 105132810
1,3-bis(2,4-dichlorophenyl)propan-2-ol
CID 63410533
2-(2,4-dichlorophenyl)-1-(2,6-dichlorophenyl)ethanamine
CID 115839922
4-(2,4-dichlorophenyl)-3-methylbutan-1-ol
CID 67212453

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-3,3-dimethylbutan-2-amine?
The IUPAC name of 1-(2,4-dichlorophenyl)-3,3-dimethylbutan-2-amine (CID 62395202) is 1-(2,4-dichlorophenyl)-3,3-dimethylbutan-2-amine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-3,3-dimethylbutan-2-amine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-3,3-dimethylbutan-2-amine is CC(C)(C)C(N)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-3,3-dimethylbutan-2-amine?
The InChIKey is BEISWZDAOKLDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2N/c1-12(2,3)11(15)6-8-4-5-9(13)7-10(8)14/h4-5,7,11H,6,15H2,1-3H3.
What are the key properties of 1-(2,4-dichlorophenyl)-3,3-dimethylbutan-2-amine?
1-(2,4-dichlorophenyl)-3,3-dimethylbutan-2-amine has a molecular weight of 246.18 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-3,3-dimethylbutan-2-amine is sourced from PubChem (CID 62395202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).