3-(3,5-ditert-butyl-4-methoxyphenyl)-3-(methylamino)propan-1-ol

C19H33NO2 — CID 83938573

IUPAC3-(3,5-ditert-butyl-4-methoxyphenyl)-3-(methylamino)propan-1-ol
SMILESCNC(CCO)c1cc(C(C)(C)C)c(OC)c(C(C)(C)C)c1
InChIInChI=1S/C19H33NO2/c1-18(2,3)14-11-13(16(20-7)9-10-21)12-15(17(14)22-8)19(4,5)6/h11-12,16,20-21H,9-10H2,1-8H3
InChIKeySQIBSHWDQIXSHV-UHFFFAOYSA-N
MW307.48 g/mol
LogP3.93
Rot. Bonds5

About 3-(3,5-ditert-butyl-4-methoxyphenyl)-3-(methylamino)propan-1-ol

3-(3,5-ditert-butyl-4-methoxyphenyl)-3-(methylamino)propan-1-ol (PubChem CID 83938573) has the molecular formula C19H33NO2 and a molecular weight of 307.48 g/mol. Its IUPAC name is 3-(3,5-ditert-butyl-4-methoxyphenyl)-3-(methylamino)propan-1-ol.

Molecular Properties

Compound Name3-(3,5-ditert-butyl-4-methoxyphenyl)-3-(methylamino)propan-1-ol
PubChem CID83938573
Molecular FormulaC19H33NO2
Molecular Weight307.48 g/mol
Exact Mass307.25
IUPAC Name3-(3,5-ditert-butyl-4-methoxyphenyl)-3-(methylamino)propan-1-ol
SMILESCNC(CCO)c1cc(C(C)(C)C)c(OC)c(C(C)(C)C)c1
InChIInChI=1S/C19H33NO2/c1-18(2,3)14-11-13(16(20-7)9-10-21)12-15(17(14)22-8)19(4,5)6/h11-12,16,20-21H,9-10H2,1-8H3
InChIKeySQIBSHWDQIXSHV-UHFFFAOYSA-N
XLogP3.93
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.48
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-tert-butyl-2-methoxy-5-methylphenyl)-3-(methylamino)propan-1-ol
CID 112512927
3-(2,5-dimethoxy-3,4-dimethylphenyl)-3-(methylamino)propan-1-ol
CID 116952894
3-(2-methoxy-3,4,6-trimethylphenyl)-3-(methylamino)propan-1-ol
CID 116952888
2-(4-methoxy-3,5-dimethylphenyl)-2-(methylamino)ethanol
CID 116859297
2-[2-(3,5-ditert-butyl-4-methoxyphenyl)ethyl]propane-1,3-diol
CID 83938580
1-(3-tert-butyl-4-methoxy-5-methylphenyl)-2-(methylamino)ethanol
CID 117382207
1-(4-methoxy-3,5-dimethylphenyl)-N,N'-dimethylpropane-1,3-diamine
CID 116948631
3-(4-methoxy-3,5-dimethylphenyl)-3-(methylamino)propane-1-thiol
CID 116831472
N,N'-dimethyl-1-(3,4,5-trimethoxyphenyl)propane-1,3-diamine
CID 116948624
2-(3-tert-butyl-2-methoxy-5-methylphenyl)-2-methylpropan-1-ol
CID 82297608
6-(3-tert-butyl-2-methoxy-5-methylphenyl)-3-(3-tert-butyl-4-methoxy-5-methylphenyl)hexane-1,4-diol
CID 70234299
(3,5-ditert-butyl-4-methoxyphenyl)boronic acid
CID 74891306

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-ditert-butyl-4-methoxyphenyl)-3-(methylamino)propan-1-ol?
The IUPAC name of 3-(3,5-ditert-butyl-4-methoxyphenyl)-3-(methylamino)propan-1-ol (CID 83938573) is 3-(3,5-ditert-butyl-4-methoxyphenyl)-3-(methylamino)propan-1-ol.
What is the SMILES notation for 3-(3,5-ditert-butyl-4-methoxyphenyl)-3-(methylamino)propan-1-ol?
The canonical SMILES for 3-(3,5-ditert-butyl-4-methoxyphenyl)-3-(methylamino)propan-1-ol is CNC(CCO)c1cc(C(C)(C)C)c(OC)c(C(C)(C)C)c1.
What is the InChIKey of 3-(3,5-ditert-butyl-4-methoxyphenyl)-3-(methylamino)propan-1-ol?
The InChIKey is SQIBSHWDQIXSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO2/c1-18(2,3)14-11-13(16(20-7)9-10-21)12-15(17(14)22-8)19(4,5)6/h11-12,16,20-21H,9-10H2,1-8H3.
What are the key properties of 3-(3,5-ditert-butyl-4-methoxyphenyl)-3-(methylamino)propan-1-ol?
3-(3,5-ditert-butyl-4-methoxyphenyl)-3-(methylamino)propan-1-ol has a molecular weight of 307.48 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-ditert-butyl-4-methoxyphenyl)-3-(methylamino)propan-1-ol is sourced from PubChem (CID 83938573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).