4-[(1R)-1-amino-2-methylbutyl]-2-chloro-6-methoxyphenol

C12H18ClNO2 — CID 171215377

IUPAC4-[(1R)-1-amino-2-methylbutyl]-2-chloro-6-methoxyphenol
SMILESCCC(C)[C@@H](N)c1cc(Cl)c(O)c(OC)c1
InChIInChI=1S/C12H18ClNO2/c1-4-7(2)11(14)8-5-9(13)12(15)10(6-8)16-3/h5-7,11,15H,4,14H2,1-3H3/t7?,11-/m1/s1
InChIKeyJGKCHFRUXLNJIQ-PLNQYNMKSA-N
MW243.73 g/mol
LogP3.10
Rot. Bonds4

About 4-[(1R)-1-amino-2-methylbutyl]-2-chloro-6-methoxyphenol

4-[(1R)-1-amino-2-methylbutyl]-2-chloro-6-methoxyphenol (PubChem CID 171215377) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is 4-[(1R)-1-amino-2-methylbutyl]-2-chloro-6-methoxyphenol.

Molecular Properties

Compound Name4-[(1R)-1-amino-2-methylbutyl]-2-chloro-6-methoxyphenol
PubChem CID171215377
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Name4-[(1R)-1-amino-2-methylbutyl]-2-chloro-6-methoxyphenol
SMILESCCC(C)[C@@H](N)c1cc(Cl)c(O)c(OC)c1
InChIInChI=1S/C12H18ClNO2/c1-4-7(2)11(14)8-5-9(13)12(15)10(6-8)16-3/h5-7,11,15H,4,14H2,1-3H3/t7?,11-/m1/s1
InChIKeyJGKCHFRUXLNJIQ-PLNQYNMKSA-N
XLogP3.10
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1S)-1-amino-2-methylbutyl]-2,6-dimethoxyphenol
CID 171219341
4-[(1S)-1-amino-2-methylbutyl]-2,6-dimethoxyphenol;hydrochloride
CID 171219342
4-[(1S,2R)-1-amino-2-hydroxy-5-methylhexyl]-2-chloro-6-methoxyphenol
CID 171271429
4-[(1R,2S)-1-amino-2-hydroxy-5-methylhexyl]-2-chloro-6-methoxyphenol
CID 171265755
4-[(1S)-1-amino-2,2-difluoroethyl]-2-chloro-6-methoxyphenol;hydrochloride
CID 171251487
2-chloro-4-[(1S)-1,2-diaminoethyl]-6-methoxyphenol;hydrochloride
CID 171215335
4-[(1S)-1-amino-2,2-dimethylpropyl]-2-chloro-6-methoxyphenol;hydrochloride
CID 171244763
2-chloro-4-(1-hydroxybutyl)-6-methoxyphenol
CID 83950515
ethyl 2-chloro-2-(3-chloro-4-hydroxy-5-methoxyphenyl)acetate
CID 88734278
4-[(1S)-1-amino-2-cyclopropylethyl]-2-chloro-6-methoxyphenol
CID 171234989
4-[(1S)-1-amino-3-methylbut-3-enyl]-2-chloro-6-methoxyphenol
CID 171235009
methyl (2S)-2-amino-2-(3-chloro-4-hydroxy-5-methoxyphenyl)acetate;hydrochloride
CID 171215382

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-amino-2-methylbutyl]-2-chloro-6-methoxyphenol?
The IUPAC name of 4-[(1R)-1-amino-2-methylbutyl]-2-chloro-6-methoxyphenol (CID 171215377) is 4-[(1R)-1-amino-2-methylbutyl]-2-chloro-6-methoxyphenol.
What is the SMILES notation for 4-[(1R)-1-amino-2-methylbutyl]-2-chloro-6-methoxyphenol?
The canonical SMILES for 4-[(1R)-1-amino-2-methylbutyl]-2-chloro-6-methoxyphenol is CCC(C)[C@@H](N)c1cc(Cl)c(O)c(OC)c1.
What is the InChIKey of 4-[(1R)-1-amino-2-methylbutyl]-2-chloro-6-methoxyphenol?
The InChIKey is JGKCHFRUXLNJIQ-PLNQYNMKSA-N. The full InChI is InChI=1S/C12H18ClNO2/c1-4-7(2)11(14)8-5-9(13)12(15)10(6-8)16-3/h5-7,11,15H,4,14H2,1-3H3/t7?,11-/m1/s1.
What are the key properties of 4-[(1R)-1-amino-2-methylbutyl]-2-chloro-6-methoxyphenol?
4-[(1R)-1-amino-2-methylbutyl]-2-chloro-6-methoxyphenol has a molecular weight of 243.73 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-amino-2-methylbutyl]-2-chloro-6-methoxyphenol is sourced from PubChem (CID 171215377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).