(R)-oxan-4-yl-(2,4,6-trimethylphenyl)methanamine;hydrochloride

C15H24ClNO — CID 171248247

IUPAC(R)-oxan-4-yl-(2,4,6-trimethylphenyl)methanamine;hydrochloride
SMILESCc1cc(C)c([C@H](N)C2CCOCC2)c(C)c1.Cl
InChIInChI=1S/C15H23NO.ClH/c1-10-8-11(2)14(12(3)9-10)15(16)13-4-6-17-7-5-13;/h8-9,13,15H,4-7,16H2,1-3H3;1H/t15-;/m1./s1
InChIKeyGFRDQXWCPWZKIL-XFULWGLBSA-N
MW269.82 g/mol
LogP3.46
Rot. Bonds2

About (R)-oxan-4-yl-(2,4,6-trimethylphenyl)methanamine;hydrochloride

(R)-oxan-4-yl-(2,4,6-trimethylphenyl)methanamine;hydrochloride (PubChem CID 171248247) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is (R)-oxan-4-yl-(2,4,6-trimethylphenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(R)-oxan-4-yl-(2,4,6-trimethylphenyl)methanamine;hydrochloride
PubChem CID171248247
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name(R)-oxan-4-yl-(2,4,6-trimethylphenyl)methanamine;hydrochloride
SMILESCc1cc(C)c([C@H](N)C2CCOCC2)c(C)c1.Cl
InChIInChI=1S/C15H23NO.ClH/c1-10-8-11(2)14(12(3)9-10)15(16)13-4-6-17-7-5-13;/h8-9,13,15H,4-7,16H2,1-3H3;1H/t15-;/m1./s1
InChIKeyGFRDQXWCPWZKIL-XFULWGLBSA-N
XLogP3.46
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-cyclohexyl-(2,4,6-trimethylphenyl)methanamine
CID 92649968
cycloheptyl-(2,4,6-trimethylphenyl)methanamine
CID 63522004
oxan-4-yl-(2,4,6-trimethylphenyl)methanol
CID 62905510
4-[amino-(2,4,6-trimethylphenyl)methyl]-N-methylcyclohexan-1-amine
CID 116937242
(4-tert-butylcyclohexyl)-(2,4,6-trimethylphenyl)methanamine
CID 63522356
2-[(R)-amino(cyclopropyl)methyl]-3,5-dimethylphenol
CID 130674108
(S)-(4,5-dimethylfuran-2-yl)-(oxan-4-yl)methanamine
CID 131503128
(3,4-dimethylcyclohexyl)-(2,4,6-trimethylphenyl)methanamine
CID 104989384
(S)-(4-methylphenyl)-(oxan-4-yl)methanamine
CID 94891785
(S)-(3,4-dimethylphenyl)-(oxan-4-yl)methanamine
CID 94891825
(S)-(2-methylphenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171242964
[(2-fluoro-4,6-dimethylphenyl)-(oxan-4-yl)methyl]hydrazine
CID 106884320

Frequently Asked Questions

What is the IUPAC name of (R)-oxan-4-yl-(2,4,6-trimethylphenyl)methanamine;hydrochloride?
The IUPAC name of (R)-oxan-4-yl-(2,4,6-trimethylphenyl)methanamine;hydrochloride (CID 171248247) is (R)-oxan-4-yl-(2,4,6-trimethylphenyl)methanamine;hydrochloride.
What is the SMILES notation for (R)-oxan-4-yl-(2,4,6-trimethylphenyl)methanamine;hydrochloride?
The canonical SMILES for (R)-oxan-4-yl-(2,4,6-trimethylphenyl)methanamine;hydrochloride is Cc1cc(C)c([C@H](N)C2CCOCC2)c(C)c1.Cl.
What is the InChIKey of (R)-oxan-4-yl-(2,4,6-trimethylphenyl)methanamine;hydrochloride?
The InChIKey is GFRDQXWCPWZKIL-XFULWGLBSA-N. The full InChI is InChI=1S/C15H23NO.ClH/c1-10-8-11(2)14(12(3)9-10)15(16)13-4-6-17-7-5-13;/h8-9,13,15H,4-7,16H2,1-3H3;1H/t15-;/m1./s1.
What are the key properties of (R)-oxan-4-yl-(2,4,6-trimethylphenyl)methanamine;hydrochloride?
(R)-oxan-4-yl-(2,4,6-trimethylphenyl)methanamine;hydrochloride has a molecular weight of 269.82 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-oxan-4-yl-(2,4,6-trimethylphenyl)methanamine;hydrochloride is sourced from PubChem (CID 171248247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).