2-amino-1-(4-methoxyphenyl)propane-1,3-diol

C10H15NO3 — CID 66204933

IUPAC2-amino-1-(4-methoxyphenyl)propane-1,3-diol
SMILESCOc1ccc(C(O)C(N)CO)cc1
InChIInChI=1S/C10H15NO3/c1-14-8-4-2-7(3-5-8)10(13)9(11)6-12/h2-5,9-10,12-13H,6,11H2,1H3
InChIKeyPFBZAUKDPDFYLR-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.05
Rot. Bonds4

About 2-amino-1-(4-methoxyphenyl)propane-1,3-diol

2-amino-1-(4-methoxyphenyl)propane-1,3-diol (PubChem CID 66204933) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 2-amino-1-(4-methoxyphenyl)propane-1,3-diol.

Molecular Properties

Compound Name2-amino-1-(4-methoxyphenyl)propane-1,3-diol
PubChem CID66204933
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name2-amino-1-(4-methoxyphenyl)propane-1,3-diol
SMILESCOc1ccc(C(O)C(N)CO)cc1
InChIInChI=1S/C10H15NO3/c1-14-8-4-2-7(3-5-8)10(13)9(11)6-12/h2-5,9-10,12-13H,6,11H2,1H3
InChIKeyPFBZAUKDPDFYLR-UHFFFAOYSA-N
XLogP0.05
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-1-(4-methoxyphenyl)propane-1,3-diol
CID 10420893
(1S,2S)-2-amino-1,2-bis(4-methoxyphenyl)ethanol
CID 90478708
(1R,2S)-2-amino-1,2-bis(4-methoxyphenyl)ethanol
CID 10707410
2-amino-1-(4-methoxyphenyl)-3-phenylpropan-1-ol
CID 62722209
methyl 3-amino-4-hydroxy-4-(4-methoxyphenyl)butanoate
CID 82348360
1-(4-methoxyphenyl)(213C)ethane-1,2-diol
CID 101170566
(1S,2S)-2-amino-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol
CID 11652165
(1S,3R)-3-amino-1-(4-methoxyphenyl)butane-1,4-diol
CID 121237727
(2S,3R)-2-amino-3-hydroxy-3-(4-methoxyphenyl)propanoic acid
CID 10965805
1-[4-(2-amino-1,3-dihydroxypropyl)phenyl]ethanone
CID 23570467
3-amino-2-(4-methoxyphenyl)propan-1-ol
CID 75251632
(2S)-3-amino-2-(4-methoxyphenyl)propan-1-ol
CID 46911827

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-methoxyphenyl)propane-1,3-diol?
The IUPAC name of 2-amino-1-(4-methoxyphenyl)propane-1,3-diol (CID 66204933) is 2-amino-1-(4-methoxyphenyl)propane-1,3-diol.
What is the SMILES notation for 2-amino-1-(4-methoxyphenyl)propane-1,3-diol?
The canonical SMILES for 2-amino-1-(4-methoxyphenyl)propane-1,3-diol is COc1ccc(C(O)C(N)CO)cc1.
What is the InChIKey of 2-amino-1-(4-methoxyphenyl)propane-1,3-diol?
The InChIKey is PFBZAUKDPDFYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-14-8-4-2-7(3-5-8)10(13)9(11)6-12/h2-5,9-10,12-13H,6,11H2,1H3.
What are the key properties of 2-amino-1-(4-methoxyphenyl)propane-1,3-diol?
2-amino-1-(4-methoxyphenyl)propane-1,3-diol has a molecular weight of 197.23 g/mol, XLogP of 0.05, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-methoxyphenyl)propane-1,3-diol is sourced from PubChem (CID 66204933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).