(R)-cyclohexyl-(2-fluoro-4,5-dimethoxyphenyl)methanamine;hydrochloride

C15H23ClFNO2 — CID 171213992

IUPAC(R)-cyclohexyl-(2-fluoro-4,5-dimethoxyphenyl)methanamine;hydrochloride
SMILESCOc1cc(F)c([C@H](N)C2CCCCC2)cc1OC.Cl
InChIInChI=1S/C15H22FNO2.ClH/c1-18-13-8-11(12(16)9-14(13)19-2)15(17)10-6-4-3-5-7-10;/h8-10,15H,3-7,17H2,1-2H3;1H/t15-;/m1./s1
InChIKeyRYTJSXJNWZYOHS-XFULWGLBSA-N
MW303.81 g/mol
LogP3.84
Rot. Bonds4

About (R)-cyclohexyl-(2-fluoro-4,5-dimethoxyphenyl)methanamine;hydrochloride

(R)-cyclohexyl-(2-fluoro-4,5-dimethoxyphenyl)methanamine;hydrochloride (PubChem CID 171213992) has the molecular formula C15H23ClFNO2 and a molecular weight of 303.81 g/mol. Its IUPAC name is (R)-cyclohexyl-(2-fluoro-4,5-dimethoxyphenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(R)-cyclohexyl-(2-fluoro-4,5-dimethoxyphenyl)methanamine;hydrochloride
PubChem CID171213992
Molecular FormulaC15H23ClFNO2
Molecular Weight303.81 g/mol
Exact Mass303.14
IUPAC Name(R)-cyclohexyl-(2-fluoro-4,5-dimethoxyphenyl)methanamine;hydrochloride
SMILESCOc1cc(F)c([C@H](N)C2CCCCC2)cc1OC.Cl
InChIInChI=1S/C15H22FNO2.ClH/c1-18-13-8-11(12(16)9-14(13)19-2)15(17)10-6-4-3-5-7-10;/h8-10,15H,3-7,17H2,1-2H3;1H/t15-;/m1./s1
InChIKeyRYTJSXJNWZYOHS-XFULWGLBSA-N
XLogP3.84
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.81
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-cyclohexyl-(2-fluoro-4,5-dimethoxyphenyl)methanamine;hydrochloride
CID 171233620
cyclopropyl-(2,5-difluoro-4-methoxyphenyl)methanamine
CID 130024487
(2-bromo-4,5-dimethoxyphenyl)-cyclohexylmethanamine
CID 43118233
(R)-cyclohexyl-(5-fluoro-2-methoxyphenyl)methanamine
CID 93023442
(2-fluoro-4,5-dimethoxyphenyl)-(2-methylcyclopentyl)methanamine
CID 107177787
2-[(S)-amino(cyclohexyl)methyl]-4-fluoro-6-methoxyphenol;hydrochloride
CID 171256025
cyclohexyl-(2,4-difluoro-5-methylphenyl)methanamine
CID 79724300
(R)-cyclohexyl-(4,5-dimethoxy-2-nitrophenyl)methanamine;hydrochloride
CID 171213468
(5-chloro-2-methoxyphenyl)-cycloheptylmethanamine
CID 65399712
1-cyclopentyl-1-(2-fluoro-4,5-dimethoxyphenyl)-N-methylmethanamine
CID 55125015
(R)-cyclohexyl-(2,5-dimethoxyphenyl)methanamine;hydrochloride
CID 171200242
cyclohexyl-(4-fluoro-3-methoxyphenyl)methanamine
CID 83824510

Frequently Asked Questions

What is the IUPAC name of (R)-cyclohexyl-(2-fluoro-4,5-dimethoxyphenyl)methanamine;hydrochloride?
The IUPAC name of (R)-cyclohexyl-(2-fluoro-4,5-dimethoxyphenyl)methanamine;hydrochloride (CID 171213992) is (R)-cyclohexyl-(2-fluoro-4,5-dimethoxyphenyl)methanamine;hydrochloride.
What is the SMILES notation for (R)-cyclohexyl-(2-fluoro-4,5-dimethoxyphenyl)methanamine;hydrochloride?
The canonical SMILES for (R)-cyclohexyl-(2-fluoro-4,5-dimethoxyphenyl)methanamine;hydrochloride is COc1cc(F)c([C@H](N)C2CCCCC2)cc1OC.Cl.
What is the InChIKey of (R)-cyclohexyl-(2-fluoro-4,5-dimethoxyphenyl)methanamine;hydrochloride?
The InChIKey is RYTJSXJNWZYOHS-XFULWGLBSA-N. The full InChI is InChI=1S/C15H22FNO2.ClH/c1-18-13-8-11(12(16)9-14(13)19-2)15(17)10-6-4-3-5-7-10;/h8-10,15H,3-7,17H2,1-2H3;1H/t15-;/m1./s1.
What are the key properties of (R)-cyclohexyl-(2-fluoro-4,5-dimethoxyphenyl)methanamine;hydrochloride?
(R)-cyclohexyl-(2-fluoro-4,5-dimethoxyphenyl)methanamine;hydrochloride has a molecular weight of 303.81 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-cyclohexyl-(2-fluoro-4,5-dimethoxyphenyl)methanamine;hydrochloride is sourced from PubChem (CID 171213992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).