4-[(1S)-1-amino-2-cyclopropylethyl]-2-chloro-6-methoxyphenol

C12H16ClNO2 — CID 171234989

IUPAC4-[(1S)-1-amino-2-cyclopropylethyl]-2-chloro-6-methoxyphenol
SMILESCOc1cc([C@@H](N)CC2CC2)cc(Cl)c1O
InChIInChI=1S/C12H16ClNO2/c1-16-11-6-8(5-9(13)12(11)15)10(14)4-7-2-3-7/h5-7,10,15H,2-4,14H2,1H3/t10-/m0/s1
InChIKeyGLFPAQZNKGYBDC-JTQLQIEISA-N
MW241.72 g/mol
LogP2.85
Rot. Bonds4

About 4-[(1S)-1-amino-2-cyclopropylethyl]-2-chloro-6-methoxyphenol

4-[(1S)-1-amino-2-cyclopropylethyl]-2-chloro-6-methoxyphenol (PubChem CID 171234989) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 4-[(1S)-1-amino-2-cyclopropylethyl]-2-chloro-6-methoxyphenol.

Molecular Properties

Compound Name4-[(1S)-1-amino-2-cyclopropylethyl]-2-chloro-6-methoxyphenol
PubChem CID171234989
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name4-[(1S)-1-amino-2-cyclopropylethyl]-2-chloro-6-methoxyphenol
SMILESCOc1cc([C@@H](N)CC2CC2)cc(Cl)c1O
InChIInChI=1S/C12H16ClNO2/c1-16-11-6-8(5-9(13)12(11)15)10(14)4-7-2-3-7/h5-7,10,15H,2-4,14H2,1H3/t10-/m0/s1
InChIKeyGLFPAQZNKGYBDC-JTQLQIEISA-N
XLogP2.85
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-[(1S)-1,2-diaminoethyl]-6-methoxyphenol;hydrochloride
CID 171215335
(1R)-2-cyclopropyl-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 171199612
4-[(1S)-1-amino-2-cyclopropylethyl]-2-methoxy-6-nitrophenol
CID 171227667
(1S)-2-cyclopropyl-1-(3,4,5-trimethoxyphenyl)ethanamine;hydrochloride
CID 171219140
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
4-[(R)-amino(oxan-4-yl)methyl]-2-chloro-6-methoxyphenol
CID 171251488
1-(4-chloro-3-methoxyphenyl)-2-cyclobutylethanamine
CID 103169066
4-[(1R)-1-amino-2-methylbutyl]-2-chloro-6-methoxyphenol
CID 171215377
(1R)-2-cyclopropyl-1-(3,4-dimethoxyphenyl)ethanamine;hydrochloride
CID 171199341
4-[(1S)-1-amino-2,2-difluoroethyl]-2-chloro-6-methoxyphenol;hydrochloride
CID 171251487
4-[(1S)-1-amino-2,2-dimethylpropyl]-2-chloro-6-methoxyphenol;hydrochloride
CID 171244763

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-amino-2-cyclopropylethyl]-2-chloro-6-methoxyphenol?
The IUPAC name of 4-[(1S)-1-amino-2-cyclopropylethyl]-2-chloro-6-methoxyphenol (CID 171234989) is 4-[(1S)-1-amino-2-cyclopropylethyl]-2-chloro-6-methoxyphenol.
What is the SMILES notation for 4-[(1S)-1-amino-2-cyclopropylethyl]-2-chloro-6-methoxyphenol?
The canonical SMILES for 4-[(1S)-1-amino-2-cyclopropylethyl]-2-chloro-6-methoxyphenol is COc1cc([C@@H](N)CC2CC2)cc(Cl)c1O.
What is the InChIKey of 4-[(1S)-1-amino-2-cyclopropylethyl]-2-chloro-6-methoxyphenol?
The InChIKey is GLFPAQZNKGYBDC-JTQLQIEISA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-16-11-6-8(5-9(13)12(11)15)10(14)4-7-2-3-7/h5-7,10,15H,2-4,14H2,1H3/t10-/m0/s1.
What are the key properties of 4-[(1S)-1-amino-2-cyclopropylethyl]-2-chloro-6-methoxyphenol?
4-[(1S)-1-amino-2-cyclopropylethyl]-2-chloro-6-methoxyphenol has a molecular weight of 241.72 g/mol, XLogP of 2.85, 4 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-cyclopropylethyl]-2-chloro-6-methoxyphenol is sourced from PubChem (CID 171234989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).