(2R)-1-(2,6-dimethylphenyl)propan-2-amine;hydrochloride

C11H18ClN — CID 175702028

IUPAC(2R)-1-(2,6-dimethylphenyl)propan-2-amine;hydrochloride
SMILESCc1cccc(C)c1C[C@@H](C)N.Cl
InChIInChI=1S/C11H17N.ClH/c1-8-5-4-6-9(2)11(8)7-10(3)12;/h4-6,10H,7,12H2,1-3H3;1H/t10-;/m1./s1
InChIKeyIDNKIXRPAYMILL-HNCPQSOCSA-N
MW199.72 g/mol
LogP2.61
Rot. Bonds2

About (2R)-1-(2,6-dimethylphenyl)propan-2-amine;hydrochloride

(2R)-1-(2,6-dimethylphenyl)propan-2-amine;hydrochloride (PubChem CID 175702028) has the molecular formula C11H18ClN and a molecular weight of 199.72 g/mol. Its IUPAC name is (2R)-1-(2,6-dimethylphenyl)propan-2-amine;hydrochloride.

Molecular Properties

Compound Name(2R)-1-(2,6-dimethylphenyl)propan-2-amine;hydrochloride
PubChem CID175702028
Molecular FormulaC11H18ClN
Molecular Weight199.72 g/mol
Exact Mass199.11
IUPAC Name(2R)-1-(2,6-dimethylphenyl)propan-2-amine;hydrochloride
SMILESCc1cccc(C)c1C[C@@H](C)N.Cl
InChIInChI=1S/C11H17N.ClH/c1-8-5-4-6-9(2)11(8)7-10(3)12;/h4-6,10H,7,12H2,1-3H3;1H/t10-;/m1./s1
InChIKeyIDNKIXRPAYMILL-HNCPQSOCSA-N
XLogP2.61
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.72
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-1-(2-ethyl-3-methylphenyl)propan-2-amine
CID 130971593
(2R)-2-amino-3-(2,6-dimethylphenyl)propanoic acid;hydrochloride
CID 154728811
2-[(2R)-2-aminopropyl]-6-methylaniline
CID 130618077
(2R)-1-(2-iodo-3-methylphenyl)propan-2-amine
CID 131014197
3-methyl-2-(2-methylpropyl)aniline
CID 21420803
1-(2-methoxy-3-methylphenyl)propan-2-amine
CID 3029797
λ2-plumbane;1-phenylpropan-2-amine
CID 174896483
2-[5-(2,6-dimethylphenyl)pentyl]-1,3-dimethylbenzene
CID 22921267
(2S)-3-cyclobutyl-1-(2,6-dimethylphenyl)but-3-en-2-amine
CID 142606189
azane;1-phenylpropan-2-amine
CID 67350534
1-[2-[(2,6-dimethylphenyl)methoxy]-5-fluorophenyl]propan-2-amine
CID 107701121
1-(3-methyl-2-pentoxyphenyl)propan-2-amine
CID 112615361

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2,6-dimethylphenyl)propan-2-amine;hydrochloride?
The IUPAC name of (2R)-1-(2,6-dimethylphenyl)propan-2-amine;hydrochloride (CID 175702028) is (2R)-1-(2,6-dimethylphenyl)propan-2-amine;hydrochloride.
What is the SMILES notation for (2R)-1-(2,6-dimethylphenyl)propan-2-amine;hydrochloride?
The canonical SMILES for (2R)-1-(2,6-dimethylphenyl)propan-2-amine;hydrochloride is Cc1cccc(C)c1C[C@@H](C)N.Cl.
What is the InChIKey of (2R)-1-(2,6-dimethylphenyl)propan-2-amine;hydrochloride?
The InChIKey is IDNKIXRPAYMILL-HNCPQSOCSA-N. The full InChI is InChI=1S/C11H17N.ClH/c1-8-5-4-6-9(2)11(8)7-10(3)12;/h4-6,10H,7,12H2,1-3H3;1H/t10-;/m1./s1.
What are the key properties of (2R)-1-(2,6-dimethylphenyl)propan-2-amine;hydrochloride?
(2R)-1-(2,6-dimethylphenyl)propan-2-amine;hydrochloride has a molecular weight of 199.72 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2,6-dimethylphenyl)propan-2-amine;hydrochloride is sourced from PubChem (CID 175702028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).