3-(dimethylamino)-2,2-dimethyl-1-phenylpropan-1-ol;hydrochloride

C13H22ClNO — CID 117067676

IUPAC3-(dimethylamino)-2,2-dimethyl-1-phenylpropan-1-ol;hydrochloride
SMILESCN(C)CC(C)(C)C(O)c1ccccc1.Cl
InChIInChI=1S/C13H21NO.ClH/c1-13(2,10-14(3)4)12(15)11-8-6-5-7-9-11;/h5-9,12,15H,10H2,1-4H3;1H
InChIKeyYFMZXAPYTKELFI-UHFFFAOYSA-N
MW243.78 g/mol
LogP2.73
Rot. Bonds4

About 3-(dimethylamino)-2,2-dimethyl-1-phenylpropan-1-ol;hydrochloride

3-(dimethylamino)-2,2-dimethyl-1-phenylpropan-1-ol;hydrochloride (PubChem CID 117067676) has the molecular formula C13H22ClNO and a molecular weight of 243.78 g/mol. Its IUPAC name is 3-(dimethylamino)-2,2-dimethyl-1-phenylpropan-1-ol;hydrochloride.

Molecular Properties

Compound Name3-(dimethylamino)-2,2-dimethyl-1-phenylpropan-1-ol;hydrochloride
PubChem CID117067676
Molecular FormulaC13H22ClNO
Molecular Weight243.78 g/mol
Exact Mass243.14
IUPAC Name3-(dimethylamino)-2,2-dimethyl-1-phenylpropan-1-ol;hydrochloride
SMILESCN(C)CC(C)(C)C(O)c1ccccc1.Cl
InChIInChI=1S/C13H21NO.ClH/c1-13(2,10-14(3)4)12(15)11-8-6-5-7-9-11;/h5-9,12,15H,10H2,1-4H3;1H
InChIKeyYFMZXAPYTKELFI-UHFFFAOYSA-N
XLogP2.73
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.78
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-hydroxypropyl(methyl)amino]-2,2-dimethyl-1-phenylpropan-1-ol
CID 63193478
3-(dipropylamino)-2,2-dimethyl-1-phenylpropan-1-ol
CID 63193572
3-(N,4-dimethylanilino)-2,2-dimethyl-1-phenylpropan-1-ol
CID 63193525
2,2-dimethyl-3-[methyl(3-methylbutyl)amino]-1-phenylpropan-1-ol
CID 63194059
(1R,3R)-2,2-dimethyl-1,3-diphenylpropane-1,3-diol
CID 100943216
2,2-dimethyl-3-[2-methylpropyl(propan-2-yl)amino]-1-phenylpropan-1-ol
CID 63194009
2,2-dimethyl-3-[methyl(2-propan-2-yloxyethyl)amino]-1-phenylpropan-1-ol
CID 81074892
3,3-dimethyl-4-phenylbutane-1,2,4-triol
CID 132576079
(1S,2R)-2,3-dimethyl-1-phenylbut-3-ene-1,2-diol
CID 101475003
2,2-dimethyl-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1-phenylpropan-1-ol
CID 63193910
(3-hydroxy-2,2-dimethyl-3-phenylpropyl) carbamate
CID 4639380
3-[ethyl(furan-2-ylmethyl)amino]-2,2-dimethyl-1-phenylpropan-1-ol
CID 63193959

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-2,2-dimethyl-1-phenylpropan-1-ol;hydrochloride?
The IUPAC name of 3-(dimethylamino)-2,2-dimethyl-1-phenylpropan-1-ol;hydrochloride (CID 117067676) is 3-(dimethylamino)-2,2-dimethyl-1-phenylpropan-1-ol;hydrochloride.
What is the SMILES notation for 3-(dimethylamino)-2,2-dimethyl-1-phenylpropan-1-ol;hydrochloride?
The canonical SMILES for 3-(dimethylamino)-2,2-dimethyl-1-phenylpropan-1-ol;hydrochloride is CN(C)CC(C)(C)C(O)c1ccccc1.Cl.
What is the InChIKey of 3-(dimethylamino)-2,2-dimethyl-1-phenylpropan-1-ol;hydrochloride?
The InChIKey is YFMZXAPYTKELFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO.ClH/c1-13(2,10-14(3)4)12(15)11-8-6-5-7-9-11;/h5-9,12,15H,10H2,1-4H3;1H.
What are the key properties of 3-(dimethylamino)-2,2-dimethyl-1-phenylpropan-1-ol;hydrochloride?
3-(dimethylamino)-2,2-dimethyl-1-phenylpropan-1-ol;hydrochloride has a molecular weight of 243.78 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-2,2-dimethyl-1-phenylpropan-1-ol;hydrochloride is sourced from PubChem (CID 117067676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).