5-(3-amino-1-hydroxypropyl)-2-chloro-3,6-dimethylphenol

C11H16ClNO2 — CID 84793357

IUPAC5-(3-amino-1-hydroxypropyl)-2-chloro-3,6-dimethylphenol
SMILESCc1cc(C(O)CCN)c(C)c(O)c1Cl
InChIInChI=1S/C11H16ClNO2/c1-6-5-8(9(14)3-4-13)7(2)11(15)10(6)12/h5,9,14-15H,3-4,13H2,1-2H3
InChIKeyNMLBJTDSBBQVOC-UHFFFAOYSA-N
MW229.71 g/mol
LogP2.04
Rot. Bonds3

About 5-(3-amino-1-hydroxypropyl)-2-chloro-3,6-dimethylphenol

5-(3-amino-1-hydroxypropyl)-2-chloro-3,6-dimethylphenol (PubChem CID 84793357) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is 5-(3-amino-1-hydroxypropyl)-2-chloro-3,6-dimethylphenol.

Molecular Properties

Compound Name5-(3-amino-1-hydroxypropyl)-2-chloro-3,6-dimethylphenol
PubChem CID84793357
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC Name5-(3-amino-1-hydroxypropyl)-2-chloro-3,6-dimethylphenol
SMILESCc1cc(C(O)CCN)c(C)c(O)c1Cl
InChIInChI=1S/C11H16ClNO2/c1-6-5-8(9(14)3-4-13)7(2)11(15)10(6)12/h5,9,14-15H,3-4,13H2,1-2H3
InChIKeyNMLBJTDSBBQVOC-UHFFFAOYSA-N
XLogP2.04
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-amino-1-hydroxypropyl)-2-chloro-6-methylphenol
CID 83835781
3-amino-1-(4-bromo-3-fluoro-2,5-dimethylphenyl)propan-1-ol
CID 84810969
4-[(1S)-3-amino-1-hydroxypropyl]-2,6-dimethylphenol
CID 96682617
3-amino-1-(3-bromo-4-methoxy-2,5-dimethylphenyl)propan-1-ol
CID 84814417
2-(4-chloro-3-hydroxy-2,5-dimethylphenyl)butanoic acid
CID 84801805
3-amino-1-(3-chloro-2-methoxy-4,6-dimethylphenyl)propan-1-ol
CID 84704189
2-chloro-6-fluoro-5-(1-hydroxyethyl)-3-methylphenol
CID 117293030
(1R)-3-amino-1-(2,4-dimethylphenyl)propan-1-ol
CID 93182212
3-(2-amino-1-hydroxyethyl)-4-chloro-5-methylphenol
CID 84776533
2-chloro-4-[1-hydroxy-2-(methylamino)ethyl]-3,6-dimethylphenol
CID 84793313
2-[(1R)-3-amino-1-hydroxypropyl]-5-methylphenol
CID 96744848
2-amino-1-(2,3,4,5-tetramethylphenyl)ethanol
CID 117284183

Frequently Asked Questions

What is the IUPAC name of 5-(3-amino-1-hydroxypropyl)-2-chloro-3,6-dimethylphenol?
The IUPAC name of 5-(3-amino-1-hydroxypropyl)-2-chloro-3,6-dimethylphenol (CID 84793357) is 5-(3-amino-1-hydroxypropyl)-2-chloro-3,6-dimethylphenol.
What is the SMILES notation for 5-(3-amino-1-hydroxypropyl)-2-chloro-3,6-dimethylphenol?
The canonical SMILES for 5-(3-amino-1-hydroxypropyl)-2-chloro-3,6-dimethylphenol is Cc1cc(C(O)CCN)c(C)c(O)c1Cl.
What is the InChIKey of 5-(3-amino-1-hydroxypropyl)-2-chloro-3,6-dimethylphenol?
The InChIKey is NMLBJTDSBBQVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2/c1-6-5-8(9(14)3-4-13)7(2)11(15)10(6)12/h5,9,14-15H,3-4,13H2,1-2H3.
What are the key properties of 5-(3-amino-1-hydroxypropyl)-2-chloro-3,6-dimethylphenol?
5-(3-amino-1-hydroxypropyl)-2-chloro-3,6-dimethylphenol has a molecular weight of 229.71 g/mol, XLogP of 2.04, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-amino-1-hydroxypropyl)-2-chloro-3,6-dimethylphenol is sourced from PubChem (CID 84793357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).