2-[dimethylamino-(4-methoxy-3,5-dimethylphenyl)methyl]butan-1-ol

C16H27NO2 — CID 116913282

IUPAC2-[dimethylamino-(4-methoxy-3,5-dimethylphenyl)methyl]butan-1-ol
SMILESCCC(CO)C(c1cc(C)c(OC)c(C)c1)N(C)C
InChIInChI=1S/C16H27NO2/c1-7-13(10-18)15(17(4)5)14-8-11(2)16(19-6)12(3)9-14/h8-9,13,15,18H,7,10H2,1-6H3
InChIKeyBWJYJDRXFQQRBI-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.93
Rot. Bonds6

About 2-[dimethylamino-(4-methoxy-3,5-dimethylphenyl)methyl]butan-1-ol

2-[dimethylamino-(4-methoxy-3,5-dimethylphenyl)methyl]butan-1-ol (PubChem CID 116913282) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-[dimethylamino-(4-methoxy-3,5-dimethylphenyl)methyl]butan-1-ol.

Molecular Properties

Compound Name2-[dimethylamino-(4-methoxy-3,5-dimethylphenyl)methyl]butan-1-ol
PubChem CID116913282
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2-[dimethylamino-(4-methoxy-3,5-dimethylphenyl)methyl]butan-1-ol
SMILESCCC(CO)C(c1cc(C)c(OC)c(C)c1)N(C)C
InChIInChI=1S/C16H27NO2/c1-7-13(10-18)15(17(4)5)14-8-11(2)16(19-6)12(3)9-14/h8-9,13,15,18H,7,10H2,1-6H3
InChIKeyBWJYJDRXFQQRBI-UHFFFAOYSA-N
XLogP2.93
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxy-3,5-dimethylphenyl)butan-1-ol
CID 116964178
(1R)-1-(4-methoxy-3,5-dimethylphenyl)propan-1-amine;hydrochloride
CID 171211620
1-chloro-1-(4-methoxy-3,5-dimethylphenyl)-N,N-dimethylmethanamine
CID 116915289
2-ethyl-1-(2-methoxy-3,5-dimethylphenyl)-N,N-dimethylpropane-1,3-diamine
CID 116913355
2-(4-methoxy-3,5-dimethylphenyl)-2-(methylamino)ethanol
CID 116859297
2-[amino-(2-methoxy-3,5-dimethylphenyl)methyl]butan-1-ol
CID 116945325
4-(dimethylamino)-4-(4-methoxy-3,5-dimethylphenyl)butan-2-one
CID 116910577
2-amino-3-(dimethylamino)-3-(2-methoxy-3,4,6-trimethylphenyl)propan-1-ol
CID 116911647
(1S)-1-(4-methoxy-3,5-dimethylphenyl)butan-1-ol
CID 97293367
1-(4-methoxy-3,5-dimethylphenyl)-N-methylpropan-1-amine
CID 83056847
[4-[(4-methoxy-3,5-dimethylphenyl)-phenylmethyl]-2,6-dimethylphenyl]methanol
CID 158830196
2-(dimethylamino)-2-(4-methoxy-3,5-dimethylphenyl)acetamide
CID 116914802

Frequently Asked Questions

What is the IUPAC name of 2-[dimethylamino-(4-methoxy-3,5-dimethylphenyl)methyl]butan-1-ol?
The IUPAC name of 2-[dimethylamino-(4-methoxy-3,5-dimethylphenyl)methyl]butan-1-ol (CID 116913282) is 2-[dimethylamino-(4-methoxy-3,5-dimethylphenyl)methyl]butan-1-ol.
What is the SMILES notation for 2-[dimethylamino-(4-methoxy-3,5-dimethylphenyl)methyl]butan-1-ol?
The canonical SMILES for 2-[dimethylamino-(4-methoxy-3,5-dimethylphenyl)methyl]butan-1-ol is CCC(CO)C(c1cc(C)c(OC)c(C)c1)N(C)C.
What is the InChIKey of 2-[dimethylamino-(4-methoxy-3,5-dimethylphenyl)methyl]butan-1-ol?
The InChIKey is BWJYJDRXFQQRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-7-13(10-18)15(17(4)5)14-8-11(2)16(19-6)12(3)9-14/h8-9,13,15,18H,7,10H2,1-6H3.
What are the key properties of 2-[dimethylamino-(4-methoxy-3,5-dimethylphenyl)methyl]butan-1-ol?
2-[dimethylamino-(4-methoxy-3,5-dimethylphenyl)methyl]butan-1-ol has a molecular weight of 265.40 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dimethylamino-(4-methoxy-3,5-dimethylphenyl)methyl]butan-1-ol is sourced from PubChem (CID 116913282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).