1-(2,3-dichlorophenyl)-2,3-dimethylpentan-2-amine

C13H19Cl2N — CID 107307745

IUPAC1-(2,3-dichlorophenyl)-2,3-dimethylpentan-2-amine
SMILESCCC(C)C(C)(N)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C13H19Cl2N/c1-4-9(2)13(3,16)8-10-6-5-7-11(14)12(10)15/h5-7,9H,4,8,16H2,1-3H3
InChIKeyQRVQHLUTPQHBJF-UHFFFAOYSA-N
MW260.21 g/mol
LogP4.30
Rot. Bonds4

About 1-(2,3-dichlorophenyl)-2,3-dimethylpentan-2-amine

1-(2,3-dichlorophenyl)-2,3-dimethylpentan-2-amine (PubChem CID 107307745) has the molecular formula C13H19Cl2N and a molecular weight of 260.21 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-2,3-dimethylpentan-2-amine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-2,3-dimethylpentan-2-amine
PubChem CID107307745
Molecular FormulaC13H19Cl2N
Molecular Weight260.21 g/mol
Exact Mass259.09
IUPAC Name1-(2,3-dichlorophenyl)-2,3-dimethylpentan-2-amine
SMILESCCC(C)C(C)(N)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C13H19Cl2N/c1-4-9(2)13(3,16)8-10-6-5-7-11(14)12(10)15/h5-7,9H,4,8,16H2,1-3H3
InChIKeyQRVQHLUTPQHBJF-UHFFFAOYSA-N
XLogP4.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(aminomethyl)-4-(2,3-dichlorophenyl)-3-methylbutan-2-ol
CID 107310643
1-(2,3-dichlorophenyl)-2-phenylpropan-2-amine
CID 107307722
3-[(2,3-dichlorophenyl)methyl]-2,4-dimethylpentan-3-ol
CID 112743445
1-(2,3-dichlorophenyl)-2-pyrrolidin-1-ylpropan-2-amine
CID 84747889
1-(2,3-dichlorophenyl)-2-(methoxymethyl)butan-2-amine
CID 107307759
2-cyclopropyl-3-(2,3-dichlorophenyl)-2-methylpropan-1-amine
CID 107309812
1-[2,2-bis(chloromethyl)pentyl]-2,3-dichlorobenzene
CID 107310887
1-(2,3-dichlorophenyl)propane-2-thiol
CID 169111936
1-(2,3-dichlorophenyl)-3-methoxypentan-2-one
CID 107308022
3-[(2-chloro-3-fluorophenyl)methyl]-2-methylpentan-3-amine
CID 112653213
5-amino-1-(2,3-dichlorophenyl)-5-methylhexan-2-one
CID 107311350
1-(2,3-dichlorophenyl)-4-methylhexan-2-ol
CID 107312463

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-2,3-dimethylpentan-2-amine?
The IUPAC name of 1-(2,3-dichlorophenyl)-2,3-dimethylpentan-2-amine (CID 107307745) is 1-(2,3-dichlorophenyl)-2,3-dimethylpentan-2-amine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-2,3-dimethylpentan-2-amine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-2,3-dimethylpentan-2-amine is CCC(C)C(C)(N)Cc1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-2,3-dimethylpentan-2-amine?
The InChIKey is QRVQHLUTPQHBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2N/c1-4-9(2)13(3,16)8-10-6-5-7-11(14)12(10)15/h5-7,9H,4,8,16H2,1-3H3.
What are the key properties of 1-(2,3-dichlorophenyl)-2,3-dimethylpentan-2-amine?
1-(2,3-dichlorophenyl)-2,3-dimethylpentan-2-amine has a molecular weight of 260.21 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-2,3-dimethylpentan-2-amine is sourced from PubChem (CID 107307745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).