(1R)-2,2-dimethyl-1-(3-methylphenyl)propan-1-amine;hydrochloride

C12H20ClN — CID 171249716

IUPAC(1R)-2,2-dimethyl-1-(3-methylphenyl)propan-1-amine;hydrochloride
SMILESCc1cccc([C@H](N)C(C)(C)C)c1.Cl
InChIInChI=1S/C12H19N.ClH/c1-9-6-5-7-10(8-9)11(13)12(2,3)4;/h5-8,11H,13H2,1-4H3;1H/t11-;/m0./s1
InChIKeyVXOIJWLCCFGCAF-MERQFXBCSA-N
MW213.75 g/mol
LogP3.46
Rot. Bonds1

About (1R)-2,2-dimethyl-1-(3-methylphenyl)propan-1-amine;hydrochloride

(1R)-2,2-dimethyl-1-(3-methylphenyl)propan-1-amine;hydrochloride (PubChem CID 171249716) has the molecular formula C12H20ClN and a molecular weight of 213.75 g/mol. Its IUPAC name is (1R)-2,2-dimethyl-1-(3-methylphenyl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-2,2-dimethyl-1-(3-methylphenyl)propan-1-amine;hydrochloride
PubChem CID171249716
Molecular FormulaC12H20ClN
Molecular Weight213.75 g/mol
Exact Mass213.13
IUPAC Name(1R)-2,2-dimethyl-1-(3-methylphenyl)propan-1-amine;hydrochloride
SMILESCc1cccc([C@H](N)C(C)(C)C)c1.Cl
InChIInChI=1S/C12H19N.ClH/c1-9-6-5-7-10(8-9)11(13)12(2,3)4;/h5-8,11H,13H2,1-4H3;1H/t11-;/m0./s1
InChIKeyVXOIJWLCCFGCAF-MERQFXBCSA-N
XLogP3.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.75
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-2,2-dimethyl-1-(3-methylphenyl)propan-1-amine
CID 93312698
(3-methylphenyl)methanediamine;dihydrochloride
CID 67649251
(1S)-1-(3-iodophenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171243215
3-[(1R)-1-amino-2,2-dimethylpropyl]phenol;hydrochloride
CID 171245723
(1R)-2-methyl-1-(3-methylphenyl)propan-1-amine
CID 45072365
2-(4-fluorophenyl)-2-methyl-1-(3-methylphenyl)propan-1-amine
CID 64769920
tert-butyl (3S)-3-amino-2,2-dimethyl-3-(3-methylphenyl)propanoate
CID 125455376
CID 156724864
CID 156724864
1-methyl-3-[1,2,2-tris(3-methylphenyl)ethyl]benzene
CID 117071538
3-(1-amino-2,2-dimethylpropyl)-N-methylaniline
CID 116936648
(1R)-2,2-dimethyl-1-(3-phenoxyphenyl)propan-1-amine;hydrochloride
CID 171246480
(1R)-3,3,3-trifluoro-1-(3-methylphenyl)propan-1-amine;hydrochloride
CID 171209879

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2-dimethyl-1-(3-methylphenyl)propan-1-amine;hydrochloride?
The IUPAC name of (1R)-2,2-dimethyl-1-(3-methylphenyl)propan-1-amine;hydrochloride (CID 171249716) is (1R)-2,2-dimethyl-1-(3-methylphenyl)propan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-2,2-dimethyl-1-(3-methylphenyl)propan-1-amine;hydrochloride?
The canonical SMILES for (1R)-2,2-dimethyl-1-(3-methylphenyl)propan-1-amine;hydrochloride is Cc1cccc([C@H](N)C(C)(C)C)c1.Cl.
What is the InChIKey of (1R)-2,2-dimethyl-1-(3-methylphenyl)propan-1-amine;hydrochloride?
The InChIKey is VXOIJWLCCFGCAF-MERQFXBCSA-N. The full InChI is InChI=1S/C12H19N.ClH/c1-9-6-5-7-10(8-9)11(13)12(2,3)4;/h5-8,11H,13H2,1-4H3;1H/t11-;/m0./s1.
What are the key properties of (1R)-2,2-dimethyl-1-(3-methylphenyl)propan-1-amine;hydrochloride?
(1R)-2,2-dimethyl-1-(3-methylphenyl)propan-1-amine;hydrochloride has a molecular weight of 213.75 g/mol, XLogP of 3.46, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2-dimethyl-1-(3-methylphenyl)propan-1-amine;hydrochloride is sourced from PubChem (CID 171249716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).