4-(dimethylamino)-1-(2-methylphenyl)butan-2-ol

C13H21NO — CID 115345853

IUPAC4-(dimethylamino)-1-(2-methylphenyl)butan-2-ol
SMILESCc1ccccc1CC(O)CCN(C)C
InChIInChI=1S/C13H21NO/c1-11-6-4-5-7-12(11)10-13(15)8-9-14(2)3/h4-7,13,15H,8-10H2,1-3H3
InChIKeyXPTWILHWCYSEPS-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.85
Rot. Bonds5

About 4-(dimethylamino)-1-(2-methylphenyl)butan-2-ol

4-(dimethylamino)-1-(2-methylphenyl)butan-2-ol (PubChem CID 115345853) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-(dimethylamino)-1-(2-methylphenyl)butan-2-ol.

Molecular Properties

Compound Name4-(dimethylamino)-1-(2-methylphenyl)butan-2-ol
PubChem CID115345853
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name4-(dimethylamino)-1-(2-methylphenyl)butan-2-ol
SMILESCc1ccccc1CC(O)CCN(C)C
InChIInChI=1S/C13H21NO/c1-11-6-4-5-7-12(11)10-13(15)8-9-14(2)3/h4-7,13,15H,8-10H2,1-3H3
InChIKeyXPTWILHWCYSEPS-UHFFFAOYSA-N
XLogP1.85
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(dimethylamino)-3-(2-methylphenyl)propan-2-ol
CID 79087104
1-(1-benzothiophen-3-yl)-4-(dimethylamino)butan-2-ol
CID 113291149
5-(dimethylamino)-1-naphthalen-1-ylpentan-2-ol
CID 70057285
4-ethyl-1-(2-methylphenyl)hexan-2-ol
CID 82919839
(3R)-3-hydroxy-4-(2-methylphenyl)butanoic acid
CID 67621465
1-(2-methylphenyl)-3-(4-methylphenyl)propan-2-ol
CID 55137869
1-(2-methylphenyl)-4-(2,2,2-trifluoroethoxy)butan-2-ol
CID 55095136
1-cycloheptyl-3-(2-methylphenyl)propan-2-ol
CID 114458939
1-(3,5-dimethylphenyl)-4-(2-methylphenyl)butan-2-ol
CID 105079612
4-(2-methylphenyl)-1-(2,4,6-trimethylphenyl)butan-2-ol
CID 105084187
1-(4-ethylphenyl)-4-(2-methylphenyl)butan-2-ol
CID 105080198
1-(3-fluorophenyl)-4-(2-methylphenyl)butan-2-ol
CID 55149163

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-1-(2-methylphenyl)butan-2-ol?
The IUPAC name of 4-(dimethylamino)-1-(2-methylphenyl)butan-2-ol (CID 115345853) is 4-(dimethylamino)-1-(2-methylphenyl)butan-2-ol.
What is the SMILES notation for 4-(dimethylamino)-1-(2-methylphenyl)butan-2-ol?
The canonical SMILES for 4-(dimethylamino)-1-(2-methylphenyl)butan-2-ol is Cc1ccccc1CC(O)CCN(C)C.
What is the InChIKey of 4-(dimethylamino)-1-(2-methylphenyl)butan-2-ol?
The InChIKey is XPTWILHWCYSEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-11-6-4-5-7-12(11)10-13(15)8-9-14(2)3/h4-7,13,15H,8-10H2,1-3H3.
What are the key properties of 4-(dimethylamino)-1-(2-methylphenyl)butan-2-ol?
4-(dimethylamino)-1-(2-methylphenyl)butan-2-ol has a molecular weight of 207.32 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-1-(2-methylphenyl)butan-2-ol is sourced from PubChem (CID 115345853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).