2-amino-3-(2,3-dimethoxyphenyl)propan-1-ol

C11H17NO3 — CID 82394614

IUPAC2-amino-3-(2,3-dimethoxyphenyl)propan-1-ol
SMILESCOc1cccc(CC(N)CO)c1OC
InChIInChI=1S/C11H17NO3/c1-14-10-5-3-4-8(11(10)15-2)6-9(12)7-13/h3-5,9,13H,6-7,12H2,1-2H3
InChIKeyLFEPGNHRQUAMHP-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.57
Rot. Bonds5

About 2-amino-3-(2,3-dimethoxyphenyl)propan-1-ol

2-amino-3-(2,3-dimethoxyphenyl)propan-1-ol (PubChem CID 82394614) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-amino-3-(2,3-dimethoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name2-amino-3-(2,3-dimethoxyphenyl)propan-1-ol
PubChem CID82394614
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name2-amino-3-(2,3-dimethoxyphenyl)propan-1-ol
SMILESCOc1cccc(CC(N)CO)c1OC
InChIInChI=1S/C11H17NO3/c1-14-10-5-3-4-8(11(10)15-2)6-9(12)7-13/h3-5,9,13H,6-7,12H2,1-2H3
InChIKeyLFEPGNHRQUAMHP-UHFFFAOYSA-N
XLogP0.57
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(2-ethoxy-3-methoxyphenyl)propan-1-ol
CID 170893212
(2S)-2-amino-3-(2,3-dimethoxyphenyl)propanoic acid
CID 40616340
2-amino-3-(2,3-dimethoxyphenoxy)propan-1-ol
CID 112512175
(2S)-2-amino-3-naphthalen-1-ylpropan-1-ol
CID 57252069
2-amino-3-(4,7-dimethoxynaphthalen-1-yl)propan-1-ol;hydrochloride
CID 170893398
(2S)-2-amino-2-(2,3-dimethoxyphenyl)ethanol
CID 55278202
(2S)-3-(2,3-dimethoxyphenyl)-2-methylpropanoic acid
CID 95001496
2-amino-3-[2,3-bis(phenylmethoxy)phenyl]propan-1-ol
CID 170856943
2-amino-3-(2,3-difluoro-4-methoxyphenyl)propan-1-ol
CID 170893663
ethyl 2-(aminomethyl)-3-(2,3-dimethoxyphenyl)propanoate
CID 43148320
[3-(2-aminopropyl)-2-methoxyphenyl]methanol
CID 117285472
1-[3-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]butan-2-amine
CID 61483305

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2,3-dimethoxyphenyl)propan-1-ol?
The IUPAC name of 2-amino-3-(2,3-dimethoxyphenyl)propan-1-ol (CID 82394614) is 2-amino-3-(2,3-dimethoxyphenyl)propan-1-ol.
What is the SMILES notation for 2-amino-3-(2,3-dimethoxyphenyl)propan-1-ol?
The canonical SMILES for 2-amino-3-(2,3-dimethoxyphenyl)propan-1-ol is COc1cccc(CC(N)CO)c1OC.
What is the InChIKey of 2-amino-3-(2,3-dimethoxyphenyl)propan-1-ol?
The InChIKey is LFEPGNHRQUAMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-14-10-5-3-4-8(11(10)15-2)6-9(12)7-13/h3-5,9,13H,6-7,12H2,1-2H3.
What are the key properties of 2-amino-3-(2,3-dimethoxyphenyl)propan-1-ol?
2-amino-3-(2,3-dimethoxyphenyl)propan-1-ol has a molecular weight of 211.26 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2,3-dimethoxyphenyl)propan-1-ol is sourced from PubChem (CID 82394614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).