2-(2,3-dichlorophenyl)-2-methylpropan-1-amine;hydrochloride

C10H14Cl3N — CID 57455746

IUPAC2-(2,3-dichlorophenyl)-2-methylpropan-1-amine;hydrochloride
SMILESCC(C)(CN)c1cccc(Cl)c1Cl.Cl
InChIInChI=1S/C10H13Cl2N.ClH/c1-10(2,6-13)7-4-3-5-8(11)9(7)12;/h3-5H,6,13H2,1-2H3;1H
InChIKeyKIDYGQJXASFIEM-UHFFFAOYSA-N
MW254.59 g/mol
LogP3.65
Rot. Bonds2

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

2-(2,3-dichlorophenyl)-2-methylpropan-1-amine;hydrochloride (PubChem CID 57455746) has the molecular formula C10H14Cl3N and a molecular weight of 254.59 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-2-methylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-2-methylpropan-1-amine;hydrochloride
PubChem CID57455746
Molecular FormulaC10H14Cl3N
Molecular Weight254.59 g/mol
Exact Mass253.02
IUPAC Name2-(2,3-dichlorophenyl)-2-methylpropan-1-amine;hydrochloride
SMILESCC(C)(CN)c1cccc(Cl)c1Cl.Cl
InChIInChI=1S/C10H13Cl2N.ClH/c1-10(2,6-13)7-4-3-5-8(11)9(7)12;/h3-5H,6,13H2,1-2H3;1H
InChIKeyKIDYGQJXASFIEM-UHFFFAOYSA-N
XLogP3.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.59
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,3-dichlorophenyl)-2-fluoropropan-1-amine
CID 112565101
3-(2,3-dichlorophenyl)-N,3-dimethylbutan-1-amine
CID 81022420
2-(2-fluoro-3-methylphenyl)-2-methylpropan-1-amine
CID 83696433
3-(2,3-dichlorophenyl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 81021922
(2R)-2-(2,3-dichlorophenyl)but-3-en-2-amine
CID 130739567
3-amino-2-(2,3-dichlorophenyl)butan-2-ol
CID 130574322
2-(2,3-dichlorophenyl)-2-methylpropanal
CID 131011791
2-(1-amino-2-methylpropan-2-yl)benzenethiol
CID 70419532
4-(1-amino-2-methylpropan-2-yl)-3-chloroaniline
CID 69044603
2-[(2,6-dichlorophenyl)methyl]-2-fluoro-3,3-dimethylbutan-1-amine
CID 112566590
2-(1-amino-2-methylpropan-2-yl)-5-chlorophenol
CID 83699928
1,3-diamino-2-(3-chloro-2-methylphenyl)propan-2-ol
CID 57039824

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-2-methylpropan-1-amine;hydrochloride?
The IUPAC name of 2-(2,3-dichlorophenyl)-2-methylpropan-1-amine;hydrochloride (CID 57455746) is 2-(2,3-dichlorophenyl)-2-methylpropan-1-amine;hydrochloride.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-2-methylpropan-1-amine;hydrochloride?
The canonical SMILES for 2-(2,3-dichlorophenyl)-2-methylpropan-1-amine;hydrochloride is CC(C)(CN)c1cccc(Cl)c1Cl.Cl.
What is the InChIKey of 2-(2,3-dichlorophenyl)-2-methylpropan-1-amine;hydrochloride?
The InChIKey is KIDYGQJXASFIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2N.ClH/c1-10(2,6-13)7-4-3-5-8(11)9(7)12;/h3-5H,6,13H2,1-2H3;1H.
What are the key properties of 2-(2,3-dichlorophenyl)-2-methylpropan-1-amine;hydrochloride?
2-(2,3-dichlorophenyl)-2-methylpropan-1-amine;hydrochloride has a molecular weight of 254.59 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-2-methylpropan-1-amine;hydrochloride is sourced from PubChem (CID 57455746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).