1-[3-(dimethylamino)phenyl]-3-methylbutan-1-ol

C13H21NO — CID 105076156

IUPAC1-[3-(dimethylamino)phenyl]-3-methylbutan-1-ol
SMILESCC(C)CC(O)c1cccc(N(C)C)c1
InChIInChI=1S/C13H21NO/c1-10(2)8-13(15)11-6-5-7-12(9-11)14(3)4/h5-7,9-10,13,15H,8H2,1-4H3
InChIKeyPHFPAPOAKLBIHD-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.83
Rot. Bonds4

About 1-[3-(dimethylamino)phenyl]-3-methylbutan-1-ol

1-[3-(dimethylamino)phenyl]-3-methylbutan-1-ol (PubChem CID 105076156) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-[3-(dimethylamino)phenyl]-3-methylbutan-1-ol.

Molecular Properties

Compound Name1-[3-(dimethylamino)phenyl]-3-methylbutan-1-ol
PubChem CID105076156
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-[3-(dimethylamino)phenyl]-3-methylbutan-1-ol
SMILESCC(C)CC(O)c1cccc(N(C)C)c1
InChIInChI=1S/C13H21NO/c1-10(2)8-13(15)11-6-5-7-12(9-11)14(3)4/h5-7,9-10,13,15H,8H2,1-4H3
InChIKeyPHFPAPOAKLBIHD-UHFFFAOYSA-N
XLogP2.83
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-[3-(dimethylamino)phenyl]propan-1-ol
CID 82605939
1-[3-(dimethylamino)phenyl]-3-methylbut-3-en-1-ol
CID 105110020
1-[3-(dimethylamino)phenyl]pent-3-yn-1-ol
CID 105082393
2-(3-bromophenyl)-1-[3-(dimethylamino)phenyl]ethanol
CID 105077529
1-[3-(dimethylamino)phenyl]-2-(furan-2-yl)ethanol
CID 105122910
1-[3-(dimethylamino)phenyl]-4-methylsulfonylbutan-1-ol
CID 105082550
[3-(dimethylamino)phenyl]-(methylamino)methanol
CID 59725197
1-[3-(dimethylamino)phenyl]-2,2-dimethylpropan-1-ol
CID 105096689
3-chloro-1-[3-(dimethylamino)phenyl]propane-1,2-diol
CID 171862083
3-[(1R)-1-aminoethyl]-N,N-dimethylaniline;dihydrochloride
CID 53484765
3-methyl-1-(3-phenoxyphenyl)butan-1-ol
CID 63893717
2-(cycloheptylamino)-1-[3-(dimethylamino)phenyl]ethanol
CID 70463295

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)phenyl]-3-methylbutan-1-ol?
The IUPAC name of 1-[3-(dimethylamino)phenyl]-3-methylbutan-1-ol (CID 105076156) is 1-[3-(dimethylamino)phenyl]-3-methylbutan-1-ol.
What is the SMILES notation for 1-[3-(dimethylamino)phenyl]-3-methylbutan-1-ol?
The canonical SMILES for 1-[3-(dimethylamino)phenyl]-3-methylbutan-1-ol is CC(C)CC(O)c1cccc(N(C)C)c1.
What is the InChIKey of 1-[3-(dimethylamino)phenyl]-3-methylbutan-1-ol?
The InChIKey is PHFPAPOAKLBIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-10(2)8-13(15)11-6-5-7-12(9-11)14(3)4/h5-7,9-10,13,15H,8H2,1-4H3.
What are the key properties of 1-[3-(dimethylamino)phenyl]-3-methylbutan-1-ol?
1-[3-(dimethylamino)phenyl]-3-methylbutan-1-ol has a molecular weight of 207.32 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)phenyl]-3-methylbutan-1-ol is sourced from PubChem (CID 105076156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).