3-[(1R)-1-amino-2,2-dimethylpropyl]phenol;hydrochloride

C11H18ClNO — CID 171245723

IUPAC3-[(1R)-1-amino-2,2-dimethylpropyl]phenol;hydrochloride
SMILESCC(C)(C)[C@@H](N)c1cccc(O)c1.Cl
InChIInChI=1S/C11H17NO.ClH/c1-11(2,3)10(12)8-5-4-6-9(13)7-8;/h4-7,10,13H,12H2,1-3H3;1H/t10-;/m0./s1
InChIKeyOQNZIVQUYPXSPK-PPHPATTJSA-N
MW215.72 g/mol
LogP2.86
Rot. Bonds1

About 3-[(1R)-1-amino-2,2-dimethylpropyl]phenol;hydrochloride

3-[(1R)-1-amino-2,2-dimethylpropyl]phenol;hydrochloride (PubChem CID 171245723) has the molecular formula C11H18ClNO and a molecular weight of 215.72 g/mol. Its IUPAC name is 3-[(1R)-1-amino-2,2-dimethylpropyl]phenol;hydrochloride.

Molecular Properties

Compound Name3-[(1R)-1-amino-2,2-dimethylpropyl]phenol;hydrochloride
PubChem CID171245723
Molecular FormulaC11H18ClNO
Molecular Weight215.72 g/mol
Exact Mass215.11
IUPAC Name3-[(1R)-1-amino-2,2-dimethylpropyl]phenol;hydrochloride
SMILESCC(C)(C)[C@@H](N)c1cccc(O)c1.Cl
InChIInChI=1S/C11H17NO.ClH/c1-11(2,3)10(12)8-5-4-6-9(13)7-8;/h4-7,10,13H,12H2,1-3H3;1H/t10-;/m0./s1
InChIKeyOQNZIVQUYPXSPK-PPHPATTJSA-N
XLogP2.86
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.72
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(1R)-1-amino-2,2,2-trifluoroethyl]phenol;hydrochloride
CID 171238998
3-amino-3-(3-hydroxyphenyl)-2,2-dimethylpropanoic acid
CID 84676780
3-[1-[1-(3-hydroxyphenyl)-2,2-dimethylpropyl]sulfanyl-2,2-dimethylpropyl]phenol
CID 141194592
3-[(1S,3S)-3-amino-1-hydroxy-4,4-dimethylpentyl]phenol;hydrochloride
CID 171237097
(1R)-2,2-dimethyl-1-(3-methylphenyl)propan-1-amine;hydrochloride
CID 171249716
3-[(1S)-2-amino-1-hydroxypropyl]phenol
CID 70582339
(1S)-1-(3-iodophenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171243215
3-[(2S)-2-amino-1-hydroxypropyl]phenol
CID 102328188
(1R)-2,2-dimethyl-1-(3-methylphenyl)propan-1-amine
CID 93312698
3-[(1S)-1-aminopropyl]phenol;hydrochloride
CID 138989201
3-[(1R,2S)-2-amino-1-hydroxypropyl]phenol;benzene
CID 70466970
4-[(1S)-1-amino-2,2-dimethylpropyl]benzene-1,2-diol;hydrochloride
CID 171238841

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-amino-2,2-dimethylpropyl]phenol;hydrochloride?
The IUPAC name of 3-[(1R)-1-amino-2,2-dimethylpropyl]phenol;hydrochloride (CID 171245723) is 3-[(1R)-1-amino-2,2-dimethylpropyl]phenol;hydrochloride.
What is the SMILES notation for 3-[(1R)-1-amino-2,2-dimethylpropyl]phenol;hydrochloride?
The canonical SMILES for 3-[(1R)-1-amino-2,2-dimethylpropyl]phenol;hydrochloride is CC(C)(C)[C@@H](N)c1cccc(O)c1.Cl.
What is the InChIKey of 3-[(1R)-1-amino-2,2-dimethylpropyl]phenol;hydrochloride?
The InChIKey is OQNZIVQUYPXSPK-PPHPATTJSA-N. The full InChI is InChI=1S/C11H17NO.ClH/c1-11(2,3)10(12)8-5-4-6-9(13)7-8;/h4-7,10,13H,12H2,1-3H3;1H/t10-;/m0./s1.
What are the key properties of 3-[(1R)-1-amino-2,2-dimethylpropyl]phenol;hydrochloride?
3-[(1R)-1-amino-2,2-dimethylpropyl]phenol;hydrochloride has a molecular weight of 215.72 g/mol, XLogP of 2.86, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-amino-2,2-dimethylpropyl]phenol;hydrochloride is sourced from PubChem (CID 171245723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).