(R)-(2,3-dimethylphenyl)-(oxan-4-yl)methanamine

C14H21NO — CID 131424754

IUPAC(R)-(2,3-dimethylphenyl)-(oxan-4-yl)methanamine
SMILESCc1cccc([C@H](N)C2CCOCC2)c1C
InChIInChI=1S/C14H21NO/c1-10-4-3-5-13(11(10)2)14(15)12-6-8-16-9-7-12/h3-5,12,14H,6-9,15H2,1-2H3/t14-/m1/s1
InChIKeyHZNMKAZASRQLPA-CQSZACIVSA-N
MW219.33 g/mol
LogP2.73
Rot. Bonds2

About (R)-(2,3-dimethylphenyl)-(oxan-4-yl)methanamine

(R)-(2,3-dimethylphenyl)-(oxan-4-yl)methanamine (PubChem CID 131424754) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is (R)-(2,3-dimethylphenyl)-(oxan-4-yl)methanamine.

Molecular Properties

Compound Name(R)-(2,3-dimethylphenyl)-(oxan-4-yl)methanamine
PubChem CID131424754
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name(R)-(2,3-dimethylphenyl)-(oxan-4-yl)methanamine
SMILESCc1cccc([C@H](N)C2CCOCC2)c1C
InChIInChI=1S/C14H21NO/c1-10-4-3-5-13(11(10)2)14(15)12-6-8-16-9-7-12/h3-5,12,14H,6-9,15H2,1-2H3/t14-/m1/s1
InChIKeyHZNMKAZASRQLPA-CQSZACIVSA-N
XLogP2.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-cyclopropyl-(2,3-dimethylphenyl)methanamine
CID 55278882
(S)-(2-methylphenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171242964
(R)-(3-fluoro-2-methylphenyl)-(oxan-4-yl)methanamine
CID 131552715
(2,3-dimethylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105140713
(3,5-dimethylcyclohexyl)-(2,3-dimethylphenyl)methanamine
CID 104988996
(2,3-dimethylphenyl)-(thiolan-3-yl)methanamine
CID 105140674
(2-tert-butylphenyl)-(oxan-4-yl)methanamine
CID 115856077
(S)-(2-methoxyphenyl)-(oxan-4-yl)methanamine
CID 131274584
(2-fluorophenyl)-(oxan-4-yl)methanamine
CID 63934888
(S)-(2,3-difluorophenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171241038
(S)-naphthalen-1-yl(oxan-4-yl)methanamine;hydrochloride
CID 171243613
2-[(R)-amino(oxan-4-yl)methyl]-6-bromophenol;hydrochloride
CID 171247310

Frequently Asked Questions

What is the IUPAC name of (R)-(2,3-dimethylphenyl)-(oxan-4-yl)methanamine?
The IUPAC name of (R)-(2,3-dimethylphenyl)-(oxan-4-yl)methanamine (CID 131424754) is (R)-(2,3-dimethylphenyl)-(oxan-4-yl)methanamine.
What is the SMILES notation for (R)-(2,3-dimethylphenyl)-(oxan-4-yl)methanamine?
The canonical SMILES for (R)-(2,3-dimethylphenyl)-(oxan-4-yl)methanamine is Cc1cccc([C@H](N)C2CCOCC2)c1C.
What is the InChIKey of (R)-(2,3-dimethylphenyl)-(oxan-4-yl)methanamine?
The InChIKey is HZNMKAZASRQLPA-CQSZACIVSA-N. The full InChI is InChI=1S/C14H21NO/c1-10-4-3-5-13(11(10)2)14(15)12-6-8-16-9-7-12/h3-5,12,14H,6-9,15H2,1-2H3/t14-/m1/s1.
What are the key properties of (R)-(2,3-dimethylphenyl)-(oxan-4-yl)methanamine?
(R)-(2,3-dimethylphenyl)-(oxan-4-yl)methanamine has a molecular weight of 219.33 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(2,3-dimethylphenyl)-(oxan-4-yl)methanamine is sourced from PubChem (CID 131424754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).