1-amino-4-(3,5-dimethoxyphenoxy)butan-2-ol

C12H19NO4 — CID 64812927

IUPAC1-amino-4-(3,5-dimethoxyphenoxy)butan-2-ol
SMILESCOc1cc(OC)cc(OCCC(O)CN)c1
InChIInChI=1S/C12H19NO4/c1-15-10-5-11(16-2)7-12(6-10)17-4-3-9(14)8-13/h5-7,9,14H,3-4,8,13H2,1-2H3
InChIKeyUGMDRJQDBSCDMS-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.79
Rot. Bonds7

About 1-amino-4-(3,5-dimethoxyphenoxy)butan-2-ol

1-amino-4-(3,5-dimethoxyphenoxy)butan-2-ol (PubChem CID 64812927) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-amino-4-(3,5-dimethoxyphenoxy)butan-2-ol.

Molecular Properties

Compound Name1-amino-4-(3,5-dimethoxyphenoxy)butan-2-ol
PubChem CID64812927
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name1-amino-4-(3,5-dimethoxyphenoxy)butan-2-ol
SMILESCOc1cc(OC)cc(OCCC(O)CN)c1
InChIInChI=1S/C12H19NO4/c1-15-10-5-11(16-2)7-12(6-10)17-4-3-9(14)8-13/h5-7,9,14H,3-4,8,13H2,1-2H3
InChIKeyUGMDRJQDBSCDMS-UHFFFAOYSA-N
XLogP0.79
TPSA73.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-amino-4-(2-tert-butyl-4-methoxyphenoxy)butan-2-ol
CID 64812535
5-(3,5-dimethoxyphenoxy)pentan-2-amine
CID 55137875
1-amino-4-(2,4,6-trimethylphenoxy)butan-2-ol
CID 64821908
1-amino-5-(3,5-dimethylphenoxy)pentan-3-ol
CID 112508033
1-amino-4-(3-methoxyphenyl)sulfanylbutan-2-ol
CID 64813407
3-methoxy-5-(3-methylbutoxy)benzenecarboximidamide
CID 103567659
2-[(3,5-dimethoxyphenoxy)methyl]prop-2-en-1-amine
CID 103067007
4-(3,5-dimethoxyphenoxy)-N-ethylbutan-2-amine
CID 55135933
1,3-dimethoxy-5-(2-propan-2-yloxyethoxy)benzene
CID 89483792
[3-(2-fluoroethoxy)-5-methoxyphenyl]methanamine
CID 103566052
2-(3,5-dimethoxyphenoxy)ethanethiol;ethane
CID 144886217
1-(3-bromopropoxy)-3,5-dimethoxybenzene
CID 12959383

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-(3,5-dimethoxyphenoxy)butan-2-ol?
The IUPAC name of 1-amino-4-(3,5-dimethoxyphenoxy)butan-2-ol (CID 64812927) is 1-amino-4-(3,5-dimethoxyphenoxy)butan-2-ol.
What is the SMILES notation for 1-amino-4-(3,5-dimethoxyphenoxy)butan-2-ol?
The canonical SMILES for 1-amino-4-(3,5-dimethoxyphenoxy)butan-2-ol is COc1cc(OC)cc(OCCC(O)CN)c1.
What is the InChIKey of 1-amino-4-(3,5-dimethoxyphenoxy)butan-2-ol?
The InChIKey is UGMDRJQDBSCDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c1-15-10-5-11(16-2)7-12(6-10)17-4-3-9(14)8-13/h5-7,9,14H,3-4,8,13H2,1-2H3.
What are the key properties of 1-amino-4-(3,5-dimethoxyphenoxy)butan-2-ol?
1-amino-4-(3,5-dimethoxyphenoxy)butan-2-ol has a molecular weight of 241.29 g/mol, XLogP of 0.79, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-(3,5-dimethoxyphenoxy)butan-2-ol is sourced from PubChem (CID 64812927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).