4-[(R)-amino(cyclobutyl)methyl]-3,5-dimethoxyphenol;hydrochloride

C13H20ClNO3 — CID 171202406

IUPAC4-[(R)-amino(cyclobutyl)methyl]-3,5-dimethoxyphenol;hydrochloride
SMILESCOc1cc(O)cc(OC)c1[C@H](N)C1CCC1.Cl
InChIInChI=1S/C13H19NO3.ClH/c1-16-10-6-9(15)7-11(17-2)12(10)13(14)8-4-3-5-8;/h6-8,13,15H,3-5,14H2,1-2H3;1H/t13-;/m1./s1
InChIKeyJVHNVHDMXKHCHM-BTQNPOSSSA-N
MW273.76 g/mol
LogP2.63
Rot. Bonds4

About 4-[(R)-amino(cyclobutyl)methyl]-3,5-dimethoxyphenol;hydrochloride

4-[(R)-amino(cyclobutyl)methyl]-3,5-dimethoxyphenol;hydrochloride (PubChem CID 171202406) has the molecular formula C13H20ClNO3 and a molecular weight of 273.76 g/mol. Its IUPAC name is 4-[(R)-amino(cyclobutyl)methyl]-3,5-dimethoxyphenol;hydrochloride.

Molecular Properties

Compound Name4-[(R)-amino(cyclobutyl)methyl]-3,5-dimethoxyphenol;hydrochloride
PubChem CID171202406
Molecular FormulaC13H20ClNO3
Molecular Weight273.76 g/mol
Exact Mass273.11
IUPAC Name4-[(R)-amino(cyclobutyl)methyl]-3,5-dimethoxyphenol;hydrochloride
SMILESCOc1cc(O)cc(OC)c1[C@H](N)C1CCC1.Cl
InChIInChI=1S/C13H19NO3.ClH/c1-16-10-6-9(15)7-11(17-2)12(10)13(14)8-4-3-5-8;/h6-8,13,15H,3-5,14H2,1-2H3;1H/t13-;/m1./s1
InChIKeyJVHNVHDMXKHCHM-BTQNPOSSSA-N
XLogP2.63
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(R)-amino(cyclopropyl)methyl]-3,5-dimethoxyphenol;hydrochloride
CID 171202408
4-[(S)-amino(cyclopropyl)methyl]-3,5-dimethoxyphenol;hydrochloride
CID 171221960
2-[(R)-amino(cyclohexyl)methyl]-3,5-dimethoxyphenol;hydrochloride
CID 171207108
4-[(R)-amino(cyclopentyl)methyl]-3-methoxyphenol;hydrochloride
CID 171200758
cyclobutyl-(2-methoxy-4,6-dimethylphenyl)methanamine
CID 82493927
4-[(S)-amino(cyclohexyl)methyl]-3-methoxyphenol;hydrochloride
CID 171220298
4-[(R)-amino(cyclohexyl)methyl]-3,5-dimethylphenol;hydrochloride
CID 171198721
4-[(1S)-1-aminoethyl]-3,5-dimethoxyphenol;hydrochloride
CID 171221934
(S)-cyclopropyl-(2,6-dimethoxyphenyl)methanamine;hydrochloride
CID 171220722
2-[(S)-amino(cyclohexyl)methyl]-3-methoxyphenol
CID 171235941
cyclooctyl-(2-methoxy-4,6-dimethylphenyl)methanamine
CID 106680816
2-[(S)-amino(cyclopentyl)methyl]-3-bromo-6-methoxyphenol;hydrochloride
CID 171254231

Frequently Asked Questions

What is the IUPAC name of 4-[(R)-amino(cyclobutyl)methyl]-3,5-dimethoxyphenol;hydrochloride?
The IUPAC name of 4-[(R)-amino(cyclobutyl)methyl]-3,5-dimethoxyphenol;hydrochloride (CID 171202406) is 4-[(R)-amino(cyclobutyl)methyl]-3,5-dimethoxyphenol;hydrochloride.
What is the SMILES notation for 4-[(R)-amino(cyclobutyl)methyl]-3,5-dimethoxyphenol;hydrochloride?
The canonical SMILES for 4-[(R)-amino(cyclobutyl)methyl]-3,5-dimethoxyphenol;hydrochloride is COc1cc(O)cc(OC)c1[C@H](N)C1CCC1.Cl.
What is the InChIKey of 4-[(R)-amino(cyclobutyl)methyl]-3,5-dimethoxyphenol;hydrochloride?
The InChIKey is JVHNVHDMXKHCHM-BTQNPOSSSA-N. The full InChI is InChI=1S/C13H19NO3.ClH/c1-16-10-6-9(15)7-11(17-2)12(10)13(14)8-4-3-5-8;/h6-8,13,15H,3-5,14H2,1-2H3;1H/t13-;/m1./s1.
What are the key properties of 4-[(R)-amino(cyclobutyl)methyl]-3,5-dimethoxyphenol;hydrochloride?
4-[(R)-amino(cyclobutyl)methyl]-3,5-dimethoxyphenol;hydrochloride has a molecular weight of 273.76 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(R)-amino(cyclobutyl)methyl]-3,5-dimethoxyphenol;hydrochloride is sourced from PubChem (CID 171202406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).