4-(dimethylamino)-2-methyl-1-phenylbutan-2-ol;hydrochloride

C13H22ClNO — CID 50985676

IUPAC4-(dimethylamino)-2-methyl-1-phenylbutan-2-ol;hydrochloride
SMILESCN(C)CCC(C)(O)Cc1ccccc1.Cl
InChIInChI=1S/C13H21NO.ClH/c1-13(15,9-10-14(2)3)11-12-7-5-4-6-8-12;/h4-8,15H,9-11H2,1-3H3;1H
InChIKeyFBGMEDYIFDIMPV-UHFFFAOYSA-N
MW243.78 g/mol
LogP2.35
Rot. Bonds5

About 4-(dimethylamino)-2-methyl-1-phenylbutan-2-ol;hydrochloride

4-(dimethylamino)-2-methyl-1-phenylbutan-2-ol;hydrochloride (PubChem CID 50985676) has the molecular formula C13H22ClNO and a molecular weight of 243.78 g/mol. Its IUPAC name is 4-(dimethylamino)-2-methyl-1-phenylbutan-2-ol;hydrochloride.

Molecular Properties

Compound Name4-(dimethylamino)-2-methyl-1-phenylbutan-2-ol;hydrochloride
PubChem CID50985676
Molecular FormulaC13H22ClNO
Molecular Weight243.78 g/mol
Exact Mass243.14
IUPAC Name4-(dimethylamino)-2-methyl-1-phenylbutan-2-ol;hydrochloride
SMILESCN(C)CCC(C)(O)Cc1ccccc1.Cl
InChIInChI=1S/C13H21NO.ClH/c1-13(15,9-10-14(2)3)11-12-7-5-4-6-8-12;/h4-8,15H,9-11H2,1-3H3;1H
InChIKeyFBGMEDYIFDIMPV-UHFFFAOYSA-N
XLogP2.35
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.78
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-4-(dimethylamino)-2-methyl-1-phenylbutan-2-ol
CID 672914
2-methyl-1,4-diphenylbutan-2-ol
CID 103642101
2,5-dimethyl-1-phenylhexan-2-ol
CID 63011565
2-methyl-1-phenylhex-5-en-2-ol
CID 104656177
4-hydroxy-4-methyl-5-phenylpentan-2-one
CID 121010182
3-hydroxy-N,N,3-trimethyl-4-phenylbutanamide
CID 102147663
4-(dimethylamino)-2-(3-fluorophenyl)-1-phenylbutan-2-ol
CID 143922823
2-methyl-1-(2-methylphenyl)-3-phenylpropan-2-ol
CID 114994895
(3S,5R)-3-(dimethylamino)-8-hydroxy-5,8-dimethyl-9-phenylnonan-2-one
CID 142943679
2,2-dimethylpropylbenzene;methanol
CID 157125736
1-phenylpentane-2,2-diol
CID 56635388
CID 134889697
CID 134889697

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-2-methyl-1-phenylbutan-2-ol;hydrochloride?
The IUPAC name of 4-(dimethylamino)-2-methyl-1-phenylbutan-2-ol;hydrochloride (CID 50985676) is 4-(dimethylamino)-2-methyl-1-phenylbutan-2-ol;hydrochloride.
What is the SMILES notation for 4-(dimethylamino)-2-methyl-1-phenylbutan-2-ol;hydrochloride?
The canonical SMILES for 4-(dimethylamino)-2-methyl-1-phenylbutan-2-ol;hydrochloride is CN(C)CCC(C)(O)Cc1ccccc1.Cl.
What is the InChIKey of 4-(dimethylamino)-2-methyl-1-phenylbutan-2-ol;hydrochloride?
The InChIKey is FBGMEDYIFDIMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO.ClH/c1-13(15,9-10-14(2)3)11-12-7-5-4-6-8-12;/h4-8,15H,9-11H2,1-3H3;1H.
What are the key properties of 4-(dimethylamino)-2-methyl-1-phenylbutan-2-ol;hydrochloride?
4-(dimethylamino)-2-methyl-1-phenylbutan-2-ol;hydrochloride has a molecular weight of 243.78 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-2-methyl-1-phenylbutan-2-ol;hydrochloride is sourced from PubChem (CID 50985676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).