2-[(R)-amino(cyclohexyl)methyl]-3,5-dimethoxyphenol;hydrochloride

C15H24ClNO3 — CID 171207108

IUPAC2-[(R)-amino(cyclohexyl)methyl]-3,5-dimethoxyphenol;hydrochloride
SMILESCOc1cc(O)c([C@H](N)C2CCCCC2)c(OC)c1.Cl
InChIInChI=1S/C15H23NO3.ClH/c1-18-11-8-12(17)14(13(9-11)19-2)15(16)10-6-4-3-5-7-10;/h8-10,15,17H,3-7,16H2,1-2H3;1H/t15-;/m1./s1
InChIKeyTXCZKRWNUPTTNA-XFULWGLBSA-N
MW301.81 g/mol
LogP3.41
Rot. Bonds4

About 2-[(R)-amino(cyclohexyl)methyl]-3,5-dimethoxyphenol;hydrochloride

2-[(R)-amino(cyclohexyl)methyl]-3,5-dimethoxyphenol;hydrochloride (PubChem CID 171207108) has the molecular formula C15H24ClNO3 and a molecular weight of 301.81 g/mol. Its IUPAC name is 2-[(R)-amino(cyclohexyl)methyl]-3,5-dimethoxyphenol;hydrochloride.

Molecular Properties

Compound Name2-[(R)-amino(cyclohexyl)methyl]-3,5-dimethoxyphenol;hydrochloride
PubChem CID171207108
Molecular FormulaC15H24ClNO3
Molecular Weight301.81 g/mol
Exact Mass301.14
IUPAC Name2-[(R)-amino(cyclohexyl)methyl]-3,5-dimethoxyphenol;hydrochloride
SMILESCOc1cc(O)c([C@H](N)C2CCCCC2)c(OC)c1.Cl
InChIInChI=1S/C15H23NO3.ClH/c1-18-11-8-12(17)14(13(9-11)19-2)15(16)10-6-4-3-5-7-10;/h8-10,15,17H,3-7,16H2,1-2H3;1H/t15-;/m1./s1
InChIKeyTXCZKRWNUPTTNA-XFULWGLBSA-N
XLogP3.41
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.81
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(R)-amino(piperidin-4-yl)methyl]-3,5-dimethoxyphenol
CID 171314427
4-[(R)-amino(cyclobutyl)methyl]-3,5-dimethoxyphenol;hydrochloride
CID 171202406
2-[(1R,2S)-1-amino-2-cyclopropyl-2-hydroxyethyl]-3,5-dimethoxyphenol;hydrochloride
CID 171263091
2-[(S)-amino(cyclohexyl)methyl]-3-methoxyphenol
CID 171235941
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]benzene-1,3,5-triol
CID 171217046
2-[(R)-amino(cyclopentyl)methyl]-5-methoxyphenol;hydrochloride
CID 171200665
oxan-4-yl-(2,4,6-trimethoxyphenyl)methanamine
CID 62905832
4-[(S)-amino(cyclohexyl)methyl]-3-methoxyphenol;hydrochloride
CID 171220298
2-[(1R)-1-amino-2,2-difluoroethyl]-3,5-dimethoxyphenol;hydrochloride
CID 171242035
cyclooctyl-(2-methoxy-4,6-dimethylphenyl)methanamine
CID 106680816

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-amino(cyclohexyl)methyl]-3,5-dimethoxyphenol;hydrochloride?
The IUPAC name of 2-[(R)-amino(cyclohexyl)methyl]-3,5-dimethoxyphenol;hydrochloride (CID 171207108) is 2-[(R)-amino(cyclohexyl)methyl]-3,5-dimethoxyphenol;hydrochloride.
What is the SMILES notation for 2-[(R)-amino(cyclohexyl)methyl]-3,5-dimethoxyphenol;hydrochloride?
The canonical SMILES for 2-[(R)-amino(cyclohexyl)methyl]-3,5-dimethoxyphenol;hydrochloride is COc1cc(O)c([C@H](N)C2CCCCC2)c(OC)c1.Cl.
What is the InChIKey of 2-[(R)-amino(cyclohexyl)methyl]-3,5-dimethoxyphenol;hydrochloride?
The InChIKey is TXCZKRWNUPTTNA-XFULWGLBSA-N. The full InChI is InChI=1S/C15H23NO3.ClH/c1-18-11-8-12(17)14(13(9-11)19-2)15(16)10-6-4-3-5-7-10;/h8-10,15,17H,3-7,16H2,1-2H3;1H/t15-;/m1./s1.
What are the key properties of 2-[(R)-amino(cyclohexyl)methyl]-3,5-dimethoxyphenol;hydrochloride?
2-[(R)-amino(cyclohexyl)methyl]-3,5-dimethoxyphenol;hydrochloride has a molecular weight of 301.81 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-amino(cyclohexyl)methyl]-3,5-dimethoxyphenol;hydrochloride is sourced from PubChem (CID 171207108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).