Metanephrine

C10H15NO3 — CID 21100

IUPAC4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxyphenol
SMILESCNCC(C1=CC(=C(C=C1)O)OC)O
InChIInChI=1S/C10H15NO3/c1-11-6-9(13)7-3-4-8(12)10(5-7)14-2/h3-5,9,11-13H,6H2,1-2H3
InChIKeyJWJCTZKFYGDABJ-UHFFFAOYSA-N
MW197.23 g/mol
LogP-1.00
Rot. Bonds4

About Metanephrine

Metanephrine (PubChem CID 21100) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxyphenol.

Molecular Properties

Compound NameMetanephrine
PubChem CID21100
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxyphenol
SMILESCNCC(C1=CC(=C(C=C1)O)OC)O
InChIInChI=1S/C10H15NO3/c1-11-6-9(13)7-3-4-8(12)10(5-7)14-2/h3-5,9,11-13H,6H2,1-2H3
InChIKeyJWJCTZKFYGDABJ-UHFFFAOYSA-N
XLogP-1.00
TPSA61.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity165

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 5-1.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze Metanephrine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Epinephrine
CID 5816
Norepinephrine
CID 439260
Isoproterenol
CID 3779
(+-)-Normetanephrine
CID 1237
3-Methoxytyramine
CID 1669
(+-)-Adrenaline
CID 838
Isoetharine
CID 3762
Racepinefrine, (S)-
CID 247704
1,2-Benzenediol, 4-(2-amino-1-hydroxyethyl)-
CID 951
Levisoprenaline
CID 443372
4-O-Methyldopamine
CID 1748
(+-)-Isoproterenol hydrochloride
CID 5807

Frequently Asked Questions

What is the IUPAC name of Metanephrine?
The IUPAC name of Metanephrine (CID 21100) is 4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxyphenol.
What is the SMILES notation for Metanephrine?
The canonical SMILES for Metanephrine is CNCC(C1=CC(=C(C=C1)O)OC)O.
What is the InChIKey of Metanephrine?
The InChIKey is JWJCTZKFYGDABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-11-6-9(13)7-3-4-8(12)10(5-7)14-2/h3-5,9,11-13H,6H2,1-2H3.
What are the key properties of Metanephrine?
Metanephrine has a molecular weight of 197.23 g/mol, XLogP of -1.00, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Metanephrine is sourced from PubChem (CID 21100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).