4-[(1S)-1-amino-2,2-dimethylpropyl]-2-chloro-6-methoxyphenol;hydrochloride

C12H19Cl2NO2 — CID 171244763

IUPAC4-[(1S)-1-amino-2,2-dimethylpropyl]-2-chloro-6-methoxyphenol;hydrochloride
SMILESCOc1cc([C@@H](N)C(C)(C)C)cc(Cl)c1O.Cl
InChIInChI=1S/C12H18ClNO2.ClH/c1-12(2,3)11(14)7-5-8(13)10(15)9(6-7)16-4;/h5-6,11,15H,14H2,1-4H3;1H/t11-;/m1./s1
InChIKeyMTZNOFVMADNGSQ-RFVHGSKJSA-N
MW280.20 g/mol
LogP3.52
Rot. Bonds2

About 4-[(1S)-1-amino-2,2-dimethylpropyl]-2-chloro-6-methoxyphenol;hydrochloride

4-[(1S)-1-amino-2,2-dimethylpropyl]-2-chloro-6-methoxyphenol;hydrochloride (PubChem CID 171244763) has the molecular formula C12H19Cl2NO2 and a molecular weight of 280.20 g/mol. Its IUPAC name is 4-[(1S)-1-amino-2,2-dimethylpropyl]-2-chloro-6-methoxyphenol;hydrochloride.

Molecular Properties

Compound Name4-[(1S)-1-amino-2,2-dimethylpropyl]-2-chloro-6-methoxyphenol;hydrochloride
PubChem CID171244763
Molecular FormulaC12H19Cl2NO2
Molecular Weight280.20 g/mol
Exact Mass279.08
IUPAC Name4-[(1S)-1-amino-2,2-dimethylpropyl]-2-chloro-6-methoxyphenol;hydrochloride
SMILESCOc1cc([C@@H](N)C(C)(C)C)cc(Cl)c1O.Cl
InChIInChI=1S/C12H18ClNO2.ClH/c1-12(2,3)11(14)7-5-8(13)10(15)9(6-7)16-4;/h5-6,11,15H,14H2,1-4H3;1H/t11-;/m1./s1
InChIKeyMTZNOFVMADNGSQ-RFVHGSKJSA-N
XLogP3.52
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.20
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1S)-1-amino-2,2,3,3,3-pentafluoropropyl]-2-chloro-6-methoxyphenol
CID 171311998
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
methyl (2S)-2-amino-2-(3-chloro-4-hydroxy-5-methoxyphenyl)acetate;hydrochloride
CID 171215382
4-[(1R)-1-amino-2-methylbutyl]-2-chloro-6-methoxyphenol
CID 171215377
(1S)-1-(4-bromo-3,5-dimethoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171240430
2-chloro-4-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]-6-methoxyphenol;dihydrochloride
CID 171296210
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
4-[(1S)-1-aminopent-4-enyl]-2-chloro-6-methoxyphenol;hydrochloride
CID 171235008
methyl (3R)-3-amino-3-(4-hydroxy-3,5-dimethoxyphenyl)-2,2-dimethylpropanoate;hydrochloride
CID 171239472
4-[(1R,2S)-1-amino-2-hydroxy-5-methylhexyl]-2-chloro-6-methoxyphenol
CID 171265755

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-amino-2,2-dimethylpropyl]-2-chloro-6-methoxyphenol;hydrochloride?
The IUPAC name of 4-[(1S)-1-amino-2,2-dimethylpropyl]-2-chloro-6-methoxyphenol;hydrochloride (CID 171244763) is 4-[(1S)-1-amino-2,2-dimethylpropyl]-2-chloro-6-methoxyphenol;hydrochloride.
What is the SMILES notation for 4-[(1S)-1-amino-2,2-dimethylpropyl]-2-chloro-6-methoxyphenol;hydrochloride?
The canonical SMILES for 4-[(1S)-1-amino-2,2-dimethylpropyl]-2-chloro-6-methoxyphenol;hydrochloride is COc1cc([C@@H](N)C(C)(C)C)cc(Cl)c1O.Cl.
What is the InChIKey of 4-[(1S)-1-amino-2,2-dimethylpropyl]-2-chloro-6-methoxyphenol;hydrochloride?
The InChIKey is MTZNOFVMADNGSQ-RFVHGSKJSA-N. The full InChI is InChI=1S/C12H18ClNO2.ClH/c1-12(2,3)11(14)7-5-8(13)10(15)9(6-7)16-4;/h5-6,11,15H,14H2,1-4H3;1H/t11-;/m1./s1.
What are the key properties of 4-[(1S)-1-amino-2,2-dimethylpropyl]-2-chloro-6-methoxyphenol;hydrochloride?
4-[(1S)-1-amino-2,2-dimethylpropyl]-2-chloro-6-methoxyphenol;hydrochloride has a molecular weight of 280.20 g/mol, XLogP of 3.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-amino-2,2-dimethylpropyl]-2-chloro-6-methoxyphenol;hydrochloride is sourced from PubChem (CID 171244763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).