4-[(R)-amino(oxan-4-yl)methyl]-2-chloro-6-methoxyphenol

C13H18ClNO3 — CID 171251488

IUPAC4-[(R)-amino(oxan-4-yl)methyl]-2-chloro-6-methoxyphenol
SMILESCOc1cc([C@H](N)C2CCOCC2)cc(Cl)c1O
InChIInChI=1S/C13H18ClNO3/c1-17-11-7-9(6-10(14)13(11)16)12(15)8-2-4-18-5-3-8/h6-8,12,16H,2-5,15H2,1H3/t12-/m1/s1
InChIKeyWUOVPWGTKNEWOK-GFCCVEGCSA-N
MW271.74 g/mol
LogP2.48
Rot. Bonds3

About 4-[(R)-amino(oxan-4-yl)methyl]-2-chloro-6-methoxyphenol

4-[(R)-amino(oxan-4-yl)methyl]-2-chloro-6-methoxyphenol (PubChem CID 171251488) has the molecular formula C13H18ClNO3 and a molecular weight of 271.74 g/mol. Its IUPAC name is 4-[(R)-amino(oxan-4-yl)methyl]-2-chloro-6-methoxyphenol.

Molecular Properties

Compound Name4-[(R)-amino(oxan-4-yl)methyl]-2-chloro-6-methoxyphenol
PubChem CID171251488
Molecular FormulaC13H18ClNO3
Molecular Weight271.74 g/mol
Exact Mass271.10
IUPAC Name4-[(R)-amino(oxan-4-yl)methyl]-2-chloro-6-methoxyphenol
SMILESCOc1cc([C@H](N)C2CCOCC2)cc(Cl)c1O
InChIInChI=1S/C13H18ClNO3/c1-17-11-7-9(6-10(14)13(11)16)12(15)8-2-4-18-5-3-8/h6-8,12,16H,2-5,15H2,1H3/t12-/m1/s1
InChIKeyWUOVPWGTKNEWOK-GFCCVEGCSA-N
XLogP2.48
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(R)-amino(oxan-4-yl)methyl]-2-methoxy-6-nitrophenol
CID 171249099
4-[(1S)-1-amino-2-cyclopropylethyl]-2-chloro-6-methoxyphenol
CID 171234989
4-[(R)-amino(oxan-4-yl)methyl]-2,3-dibromo-6-methoxyphenol;hydrochloride
CID 171251537
(3-chloro-4-methoxyphenyl)-(oxolan-3-yl)methanamine
CID 61270663
(R)-(3,5-dichlorophenyl)-(oxan-4-yl)methanamine
CID 131424758
(S)-(4-methoxy-3-methylphenyl)-(oxan-4-yl)methanamine
CID 171244198
(S)-(5-chloro-2-methoxyphenyl)-(oxan-4-yl)methanamine
CID 171244638
(3,4-dichlorophenyl)-(oxan-4-yl)methanamine
CID 62906187
2-[(S)-amino(oxan-4-yl)methyl]-4,6-dichlorophenol
CID 171238699
5-[(R)-amino(oxan-4-yl)methyl]benzene-1,3-diol;hydrochloride
CID 171246230
(3-fluoro-4-methoxyphenyl)-(oxan-4-yl)methanamine
CID 62906702
(3-chloro-4,5-dimethoxyphenyl)-(oxolan-3-yl)methanol
CID 63563606

Frequently Asked Questions

What is the IUPAC name of 4-[(R)-amino(oxan-4-yl)methyl]-2-chloro-6-methoxyphenol?
The IUPAC name of 4-[(R)-amino(oxan-4-yl)methyl]-2-chloro-6-methoxyphenol (CID 171251488) is 4-[(R)-amino(oxan-4-yl)methyl]-2-chloro-6-methoxyphenol.
What is the SMILES notation for 4-[(R)-amino(oxan-4-yl)methyl]-2-chloro-6-methoxyphenol?
The canonical SMILES for 4-[(R)-amino(oxan-4-yl)methyl]-2-chloro-6-methoxyphenol is COc1cc([C@H](N)C2CCOCC2)cc(Cl)c1O.
What is the InChIKey of 4-[(R)-amino(oxan-4-yl)methyl]-2-chloro-6-methoxyphenol?
The InChIKey is WUOVPWGTKNEWOK-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H18ClNO3/c1-17-11-7-9(6-10(14)13(11)16)12(15)8-2-4-18-5-3-8/h6-8,12,16H,2-5,15H2,1H3/t12-/m1/s1.
What are the key properties of 4-[(R)-amino(oxan-4-yl)methyl]-2-chloro-6-methoxyphenol?
4-[(R)-amino(oxan-4-yl)methyl]-2-chloro-6-methoxyphenol has a molecular weight of 271.74 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(R)-amino(oxan-4-yl)methyl]-2-chloro-6-methoxyphenol is sourced from PubChem (CID 171251488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).