(1R)-1-(2,3-dichlorophenyl)-2,2-dimethylpropan-1-amine;hydrochloride

C11H16Cl3N — CID 171247920

IUPAC(1R)-1-(2,3-dichlorophenyl)-2,2-dimethylpropan-1-amine;hydrochloride
SMILESCC(C)(C)[C@@H](N)c1cccc(Cl)c1Cl.Cl
InChIInChI=1S/C11H15Cl2N.ClH/c1-11(2,3)10(14)7-5-4-6-8(12)9(7)13;/h4-6,10H,14H2,1-3H3;1H/t10-;/m0./s1
InChIKeyUWBKQBCFKNQANC-PPHPATTJSA-N
MW268.62 g/mol
LogP4.46
Rot. Bonds1

About (1R)-1-(2,3-dichlorophenyl)-2,2-dimethylpropan-1-amine;hydrochloride

(1R)-1-(2,3-dichlorophenyl)-2,2-dimethylpropan-1-amine;hydrochloride (PubChem CID 171247920) has the molecular formula C11H16Cl3N and a molecular weight of 268.62 g/mol. Its IUPAC name is (1R)-1-(2,3-dichlorophenyl)-2,2-dimethylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(2,3-dichlorophenyl)-2,2-dimethylpropan-1-amine;hydrochloride
PubChem CID171247920
Molecular FormulaC11H16Cl3N
Molecular Weight268.62 g/mol
Exact Mass267.03
IUPAC Name(1R)-1-(2,3-dichlorophenyl)-2,2-dimethylpropan-1-amine;hydrochloride
SMILESCC(C)(C)[C@@H](N)c1cccc(Cl)c1Cl.Cl
InChIInChI=1S/C11H15Cl2N.ClH/c1-11(2,3)10(14)7-5-4-6-8(12)9(7)13;/h4-6,10H,14H2,1-3H3;1H/t10-;/m0./s1
InChIKeyUWBKQBCFKNQANC-PPHPATTJSA-N
XLogP4.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.62
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,3-dichlorophenyl)-2,2-dimethylpropan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(2,3-dichlorophenyl)-2,2-dimethylpropan-1-amine;hydrochloride (CID 171247920) is (1R)-1-(2,3-dichlorophenyl)-2,2-dimethylpropan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(2,3-dichlorophenyl)-2,2-dimethylpropan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(2,3-dichlorophenyl)-2,2-dimethylpropan-1-amine;hydrochloride is CC(C)(C)[C@@H](N)c1cccc(Cl)c1Cl.Cl.
What is the InChIKey of (1R)-1-(2,3-dichlorophenyl)-2,2-dimethylpropan-1-amine;hydrochloride?
The InChIKey is UWBKQBCFKNQANC-PPHPATTJSA-N. The full InChI is InChI=1S/C11H15Cl2N.ClH/c1-11(2,3)10(14)7-5-4-6-8(12)9(7)13;/h4-6,10H,14H2,1-3H3;1H/t10-;/m0./s1.
What are the key properties of (1R)-1-(2,3-dichlorophenyl)-2,2-dimethylpropan-1-amine;hydrochloride?
(1R)-1-(2,3-dichlorophenyl)-2,2-dimethylpropan-1-amine;hydrochloride has a molecular weight of 268.62 g/mol, XLogP of 4.46, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,3-dichlorophenyl)-2,2-dimethylpropan-1-amine;hydrochloride is sourced from PubChem (CID 171247920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).