(R)-cyclobutyl-(4-methoxy-3-methylphenyl)methanamine;hydrochloride

C13H20ClNO — CID 171213709

IUPAC(R)-cyclobutyl-(4-methoxy-3-methylphenyl)methanamine;hydrochloride
SMILESCOc1ccc([C@H](N)C2CCC2)cc1C.Cl
InChIInChI=1S/C13H19NO.ClH/c1-9-8-11(6-7-12(9)15-2)13(14)10-4-3-5-10;/h6-8,10,13H,3-5,14H2,1-2H3;1H/t13-;/m1./s1
InChIKeyVEZNNMAYZWWRFX-BTQNPOSSSA-N
MW241.76 g/mol
LogP3.23
Rot. Bonds3

About (R)-cyclobutyl-(4-methoxy-3-methylphenyl)methanamine;hydrochloride

(R)-cyclobutyl-(4-methoxy-3-methylphenyl)methanamine;hydrochloride (PubChem CID 171213709) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is (R)-cyclobutyl-(4-methoxy-3-methylphenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(R)-cyclobutyl-(4-methoxy-3-methylphenyl)methanamine;hydrochloride
PubChem CID171213709
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name(R)-cyclobutyl-(4-methoxy-3-methylphenyl)methanamine;hydrochloride
SMILESCOc1ccc([C@H](N)C2CCC2)cc1C.Cl
InChIInChI=1S/C13H19NO.ClH/c1-9-8-11(6-7-12(9)15-2)13(14)10-4-3-5-10;/h6-8,10,13H,3-5,14H2,1-2H3;1H/t13-;/m1./s1
InChIKeyVEZNNMAYZWWRFX-BTQNPOSSSA-N
XLogP3.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-(4-methoxy-3-methylphenyl)-(oxan-4-yl)methanamine
CID 171244198
cyclopentyl-(3-methyl-4-propan-2-yloxyphenyl)methanamine
CID 82296047
(R)-cyclohexyl-(3,4-dimethylphenyl)methanamine;hydrochloride
CID 171200491
2-cyclobutyl-2-(4-methoxy-3-methylphenyl)ethanamine
CID 82024046
cyclopentyl-(4-methoxy-3-propan-2-ylphenyl)methanamine
CID 82086619
(S)-(3-bromo-4-methoxyphenyl)-cyclohexylmethanamine
CID 29010450
5-[(S)-amino(cyclohexyl)methyl]-2-methoxyphenol
CID 171218830
(4-methoxy-3-methylphenyl)-(2-methylcyclopropyl)methanamine
CID 43379643
[chloro-(4-methoxy-3-methylphenyl)methyl]cyclooctane
CID 65020691
[bromo-(4-methoxy-3-methylphenyl)methyl]cyclooctane
CID 65020989
(R)-cyclopropyl-(4-methoxy-3,5-dimethylphenyl)methanamine;hydrochloride
CID 171211641
5-[(R)-amino(cyclopropyl)methyl]-2-methoxyphenol
CID 55254634

Frequently Asked Questions

What is the IUPAC name of (R)-cyclobutyl-(4-methoxy-3-methylphenyl)methanamine;hydrochloride?
The IUPAC name of (R)-cyclobutyl-(4-methoxy-3-methylphenyl)methanamine;hydrochloride (CID 171213709) is (R)-cyclobutyl-(4-methoxy-3-methylphenyl)methanamine;hydrochloride.
What is the SMILES notation for (R)-cyclobutyl-(4-methoxy-3-methylphenyl)methanamine;hydrochloride?
The canonical SMILES for (R)-cyclobutyl-(4-methoxy-3-methylphenyl)methanamine;hydrochloride is COc1ccc([C@H](N)C2CCC2)cc1C.Cl.
What is the InChIKey of (R)-cyclobutyl-(4-methoxy-3-methylphenyl)methanamine;hydrochloride?
The InChIKey is VEZNNMAYZWWRFX-BTQNPOSSSA-N. The full InChI is InChI=1S/C13H19NO.ClH/c1-9-8-11(6-7-12(9)15-2)13(14)10-4-3-5-10;/h6-8,10,13H,3-5,14H2,1-2H3;1H/t13-;/m1./s1.
What are the key properties of (R)-cyclobutyl-(4-methoxy-3-methylphenyl)methanamine;hydrochloride?
(R)-cyclobutyl-(4-methoxy-3-methylphenyl)methanamine;hydrochloride has a molecular weight of 241.76 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-cyclobutyl-(4-methoxy-3-methylphenyl)methanamine;hydrochloride is sourced from PubChem (CID 171213709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).