3-amino-2-(2-methoxy-3-methylphenyl)propan-1-ol

C11H17NO2 — CID 83685742

IUPAC3-amino-2-(2-methoxy-3-methylphenyl)propan-1-ol
SMILESCOc1c(C)cccc1C(CN)CO
InChIInChI=1S/C11H17NO2/c1-8-4-3-5-10(11(8)14-2)9(6-12)7-13/h3-5,9,13H,6-7,12H2,1-2H3
InChIKeyXRPCHRQYKIJKBH-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.04
Rot. Bonds4

About 3-amino-2-(2-methoxy-3-methylphenyl)propan-1-ol

3-amino-2-(2-methoxy-3-methylphenyl)propan-1-ol (PubChem CID 83685742) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 3-amino-2-(2-methoxy-3-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(2-methoxy-3-methylphenyl)propan-1-ol
PubChem CID83685742
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name3-amino-2-(2-methoxy-3-methylphenyl)propan-1-ol
SMILESCOc1c(C)cccc1C(CN)CO
InChIInChI=1S/C11H17NO2/c1-8-4-3-5-10(11(8)14-2)9(6-12)7-13/h3-5,9,13H,6-7,12H2,1-2H3
InChIKeyXRPCHRQYKIJKBH-UHFFFAOYSA-N
XLogP1.04
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-(2,3-dimethoxyphenyl)propan-1-ol
CID 12814074
3-amino-2-(2-methoxy-4,5-dimethylphenyl)propan-1-ol
CID 82283929
2-amino-2-(2-methoxy-3-methylphenyl)acetic acid
CID 82400552
2-methoxy-1-methyl-3-[(2S)-3-methylbutan-2-yl]benzene
CID 130223867
2-methoxy-1,3-dimethylbenzene;2-methylbutan-1-ol
CID 66965840
3-amino-2-(2,5-dimethylphenyl)propan-1-ol
CID 82280728
3-amino-2-(5-chloro-2-methoxy-4-methylphenyl)propan-1-ol
CID 82288669
1-amino-4-(2-methoxy-3-methylphenyl)butan-2-ol
CID 82395060
2-(2-methoxy-3-methylphenyl)butanal
CID 83830164
(2S)-2-amino-2-(2-methoxy-3-methylphenyl)propan-1-ol
CID 131076413
3-amino-2-(4-methoxyphenyl)propan-1-ol
CID 75251632
2-(4-methoxy-3,5-dimethylphenyl)butan-1-ol
CID 116964178

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-methoxy-3-methylphenyl)propan-1-ol?
The IUPAC name of 3-amino-2-(2-methoxy-3-methylphenyl)propan-1-ol (CID 83685742) is 3-amino-2-(2-methoxy-3-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(2-methoxy-3-methylphenyl)propan-1-ol?
The canonical SMILES for 3-amino-2-(2-methoxy-3-methylphenyl)propan-1-ol is COc1c(C)cccc1C(CN)CO.
What is the InChIKey of 3-amino-2-(2-methoxy-3-methylphenyl)propan-1-ol?
The InChIKey is XRPCHRQYKIJKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-8-4-3-5-10(11(8)14-2)9(6-12)7-13/h3-5,9,13H,6-7,12H2,1-2H3.
What are the key properties of 3-amino-2-(2-methoxy-3-methylphenyl)propan-1-ol?
3-amino-2-(2-methoxy-3-methylphenyl)propan-1-ol has a molecular weight of 195.26 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-methoxy-3-methylphenyl)propan-1-ol is sourced from PubChem (CID 83685742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).