N-[(2,3-dichlorophenyl)methyl]-2-methylpropan-2-amine;hydrochloride

C11H16Cl3N — CID 17293607

IUPACN-[(2,3-dichlorophenyl)methyl]-2-methylpropan-2-amine;hydrochloride
SMILESCC(C)(C)NCc1cccc(Cl)c1Cl.Cl
InChIInChI=1S/C11H15Cl2N.ClH/c1-11(2,3)14-7-8-5-4-6-9(12)10(8)13;/h4-6,14H,7H2,1-3H3;1H
InChIKeyITLRYTVEQRSDKY-UHFFFAOYSA-N
MW268.61 g/mol
LogP4.30
Rot. Bonds2

About N-[(2,3-dichlorophenyl)methyl]-2-methylpropan-2-amine;hydrochloride

N-[(2,3-dichlorophenyl)methyl]-2-methylpropan-2-amine;hydrochloride (PubChem CID 17293607) has the molecular formula C11H16Cl3N and a molecular weight of 268.61 g/mol. Its IUPAC name is N-[(2,3-dichlorophenyl)methyl]-2-methylpropan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-[(2,3-dichlorophenyl)methyl]-2-methylpropan-2-amine;hydrochloride
PubChem CID17293607
Molecular FormulaC11H16Cl3N
Molecular Weight268.61 g/mol
Exact Mass267.03
IUPAC NameN-[(2,3-dichlorophenyl)methyl]-2-methylpropan-2-amine;hydrochloride
SMILESCC(C)(C)NCc1cccc(Cl)c1Cl.Cl
InChIInChI=1S/C11H15Cl2N.ClH/c1-11(2,3)14-7-8-5-4-6-9(12)10(8)13;/h4-6,14H,7H2,1-3H3;1H
InChIKeyITLRYTVEQRSDKY-UHFFFAOYSA-N
XLogP4.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.61
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-chloro-2-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 112610454
2-[(2,3-dichlorophenyl)methylamino]-2-methylpropanamide
CID 61219594
N-[[1-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]methyl]-2-methylpropan-2-amine
CID 107310253
2-[(2,3-dichlorophenyl)methylamino]-2-ethylbutan-1-ol
CID 62523478
N-[(2,3-dichlorophenyl)methyl]-4-methylaniline;hydrochloride
CID 47023748
2-[(tert-butylamino)methyl]-6-chloro-N-methyl-N-propan-2-ylaniline
CID 114068118
1-[2-[(tert-butylamino)methyl]-6-chlorophenoxy]propan-2-ol
CID 112610429
N-tert-butyl-2-[(2,3-dichlorophenyl)methyl]-2-methylbut-3-en-1-amine
CID 107309854
N-[[3-chloro-2-(4-methoxybutoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 104647181
N-[(2,3-dichlorophenyl)methyl]cyclopropanamine;hydrochloride
CID 46835187
N-[(2,3-dichlorophenyl)methyl]-2-methyl-2-phenylpropan-1-amine
CID 63451747
N-[(2,3-dimethylphenyl)methyl]-2-methylpropan-2-amine
CID 60760457

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dichlorophenyl)methyl]-2-methylpropan-2-amine;hydrochloride?
The IUPAC name of N-[(2,3-dichlorophenyl)methyl]-2-methylpropan-2-amine;hydrochloride (CID 17293607) is N-[(2,3-dichlorophenyl)methyl]-2-methylpropan-2-amine;hydrochloride.
What is the SMILES notation for N-[(2,3-dichlorophenyl)methyl]-2-methylpropan-2-amine;hydrochloride?
The canonical SMILES for N-[(2,3-dichlorophenyl)methyl]-2-methylpropan-2-amine;hydrochloride is CC(C)(C)NCc1cccc(Cl)c1Cl.Cl.
What is the InChIKey of N-[(2,3-dichlorophenyl)methyl]-2-methylpropan-2-amine;hydrochloride?
The InChIKey is ITLRYTVEQRSDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2N.ClH/c1-11(2,3)14-7-8-5-4-6-9(12)10(8)13;/h4-6,14H,7H2,1-3H3;1H.
What are the key properties of N-[(2,3-dichlorophenyl)methyl]-2-methylpropan-2-amine;hydrochloride?
N-[(2,3-dichlorophenyl)methyl]-2-methylpropan-2-amine;hydrochloride has a molecular weight of 268.61 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dichlorophenyl)methyl]-2-methylpropan-2-amine;hydrochloride is sourced from PubChem (CID 17293607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).