(2S)-2-amino-3-(3,4-dimethoxy-5-methylphenyl)propan-1-ol

C12H19NO3 — CID 141408194

IUPAC(2S)-2-amino-3-(3,4-dimethoxy-5-methylphenyl)propan-1-ol
SMILESCOc1cc(C[C@H](N)CO)cc(C)c1OC
InChIInChI=1S/C12H19NO3/c1-8-4-9(5-10(13)7-14)6-11(15-2)12(8)16-3/h4,6,10,14H,5,7,13H2,1-3H3/t10-/m0/s1
InChIKeyUJZXFDMPGDBISB-JTQLQIEISA-N
MW225.29 g/mol
LogP0.87
Rot. Bonds5

About (2S)-2-amino-3-(3,4-dimethoxy-5-methylphenyl)propan-1-ol

(2S)-2-amino-3-(3,4-dimethoxy-5-methylphenyl)propan-1-ol (PubChem CID 141408194) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is (2S)-2-amino-3-(3,4-dimethoxy-5-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name(2S)-2-amino-3-(3,4-dimethoxy-5-methylphenyl)propan-1-ol
PubChem CID141408194
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name(2S)-2-amino-3-(3,4-dimethoxy-5-methylphenyl)propan-1-ol
SMILESCOc1cc(C[C@H](N)CO)cc(C)c1OC
InChIInChI=1S/C12H19NO3/c1-8-4-9(5-10(13)7-14)6-11(15-2)12(8)16-3/h4,6,10,14H,5,7,13H2,1-3H3/t10-/m0/s1
InChIKeyUJZXFDMPGDBISB-JTQLQIEISA-N
XLogP0.87
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4,5-trimethoxyphenyl)pentan-2-amine
CID 3051170
2-(3,4-dimethoxy-5-methylphenyl)ethanol
CID 117286355
4-(2-amino-3-hydroxypropyl)-2-iodo-6-methoxyphenol
CID 170891887
2-amino-3-(3,5-dimethoxyphenyl)propan-1-ol
CID 21398979
2-amino-3-(2,5-dimethoxy-4-methylphenyl)propan-1-ol
CID 176947219
1-(3,4,5-trimethoxy(213C)cyclohexa-1,3,5-trien-1-yl)propan-2-amine
CID 71492617
4-[4-(2-amino-3-hydroxypropyl)-2,6-dimethylphenoxy]-2-methylphenol
CID 123979679
2-(3,4-dimethoxy-5-methylphenyl)acetic acid
CID 70527445
2-amino-3-[4-(3,4-dimethoxyphenyl)phenyl]propan-1-ol
CID 170892877
2-amino-3-(3-chloro-5-fluoro-4-methoxyphenyl)propan-1-ol;hydrochloride
CID 170893643
1,2-dimethoxy-3-methyl-5-propylbenzene;ethane
CID 142056687
2-amino-3-(3,4,5-trimethoxyphenyl)propanamide
CID 116850909

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(3,4-dimethoxy-5-methylphenyl)propan-1-ol?
The IUPAC name of (2S)-2-amino-3-(3,4-dimethoxy-5-methylphenyl)propan-1-ol (CID 141408194) is (2S)-2-amino-3-(3,4-dimethoxy-5-methylphenyl)propan-1-ol.
What is the SMILES notation for (2S)-2-amino-3-(3,4-dimethoxy-5-methylphenyl)propan-1-ol?
The canonical SMILES for (2S)-2-amino-3-(3,4-dimethoxy-5-methylphenyl)propan-1-ol is COc1cc(C[C@H](N)CO)cc(C)c1OC.
What is the InChIKey of (2S)-2-amino-3-(3,4-dimethoxy-5-methylphenyl)propan-1-ol?
The InChIKey is UJZXFDMPGDBISB-JTQLQIEISA-N. The full InChI is InChI=1S/C12H19NO3/c1-8-4-9(5-10(13)7-14)6-11(15-2)12(8)16-3/h4,6,10,14H,5,7,13H2,1-3H3/t10-/m0/s1.
What are the key properties of (2S)-2-amino-3-(3,4-dimethoxy-5-methylphenyl)propan-1-ol?
(2S)-2-amino-3-(3,4-dimethoxy-5-methylphenyl)propan-1-ol has a molecular weight of 225.29 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(3,4-dimethoxy-5-methylphenyl)propan-1-ol is sourced from PubChem (CID 141408194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).