3-amino-2-(5-chloro-2-methoxy-4-methylphenyl)propan-1-ol

C11H16ClNO2 — CID 82288669

IUPAC3-amino-2-(5-chloro-2-methoxy-4-methylphenyl)propan-1-ol
SMILESCOc1cc(C)c(Cl)cc1C(CN)CO
InChIInChI=1S/C11H16ClNO2/c1-7-3-11(15-2)9(4-10(7)12)8(5-13)6-14/h3-4,8,14H,5-6,13H2,1-2H3
InChIKeySWMZWWPMIYQPDG-UHFFFAOYSA-N
MW229.71 g/mol
LogP1.69
Rot. Bonds4

About 3-amino-2-(5-chloro-2-methoxy-4-methylphenyl)propan-1-ol

3-amino-2-(5-chloro-2-methoxy-4-methylphenyl)propan-1-ol (PubChem CID 82288669) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is 3-amino-2-(5-chloro-2-methoxy-4-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(5-chloro-2-methoxy-4-methylphenyl)propan-1-ol
PubChem CID82288669
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC Name3-amino-2-(5-chloro-2-methoxy-4-methylphenyl)propan-1-ol
SMILESCOc1cc(C)c(Cl)cc1C(CN)CO
InChIInChI=1S/C11H16ClNO2/c1-7-3-11(15-2)9(4-10(7)12)8(5-13)6-14/h3-4,8,14H,5-6,13H2,1-2H3
InChIKeySWMZWWPMIYQPDG-UHFFFAOYSA-N
XLogP1.69
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-(2-methoxy-4,5-dimethylphenyl)propan-1-ol
CID 82283929
2-(aminomethyl)-4-(5-chloro-2-methoxy-4-methylphenyl)hexan-1-ol
CID 83937477
(1R)-1-(5-chloro-2-methoxy-4-methylphenyl)ethane-1,2-diamine
CID 66517766
2-[1-(5-chloro-2-methoxy-4-methylphenyl)ethyl]propane-1,3-diamine
CID 83937480
1-amino-4-(5-chloro-2-methoxy-4-methylphenyl)pentan-2-ol
CID 83937557
1-(5-chloro-2-methoxy-4-methylphenyl)-2-methylpropane-1,3-diamine
CID 116933090
amino-(5-chloro-2-methoxy-4-methylphenyl)methanethiol
CID 116939471
3-amino-2-(2,5-dimethoxy-4-methylsulfanylphenyl)propan-1-ol
CID 116835417
1-(5-chloro-2-methoxy-4-methylphenyl)ethanol
CID 82265131
2-(2-methoxy-4,5-dimethylphenyl)butan-1-ol
CID 82077689
2-chloro-1-(5-chloro-2-methoxy-4-methylphenyl)ethanol
CID 116863542
1-(5-chloro-2-methoxy-4-methylphenyl)butane-1,4-diamine
CID 116933715

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(5-chloro-2-methoxy-4-methylphenyl)propan-1-ol?
The IUPAC name of 3-amino-2-(5-chloro-2-methoxy-4-methylphenyl)propan-1-ol (CID 82288669) is 3-amino-2-(5-chloro-2-methoxy-4-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(5-chloro-2-methoxy-4-methylphenyl)propan-1-ol?
The canonical SMILES for 3-amino-2-(5-chloro-2-methoxy-4-methylphenyl)propan-1-ol is COc1cc(C)c(Cl)cc1C(CN)CO.
What is the InChIKey of 3-amino-2-(5-chloro-2-methoxy-4-methylphenyl)propan-1-ol?
The InChIKey is SWMZWWPMIYQPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2/c1-7-3-11(15-2)9(4-10(7)12)8(5-13)6-14/h3-4,8,14H,5-6,13H2,1-2H3.
What are the key properties of 3-amino-2-(5-chloro-2-methoxy-4-methylphenyl)propan-1-ol?
3-amino-2-(5-chloro-2-methoxy-4-methylphenyl)propan-1-ol has a molecular weight of 229.71 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(5-chloro-2-methoxy-4-methylphenyl)propan-1-ol is sourced from PubChem (CID 82288669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).