(2S,3R)-2-(4-methylphenyl)oxan-3-amine

C12H17NO — CID 95757199

IUPAC(2S,3R)-2-(4-methylphenyl)oxan-3-amine
SMILESCc1ccc([C@@H]2OCCC[C@H]2N)cc1
InChIInChI=1S/C12H17NO/c1-9-4-6-10(7-5-9)12-11(13)3-2-8-14-12/h4-7,11-12H,2-3,8,13H2,1H3/t11-,12+/m1/s1
InChIKeyYGUNMMBWGALCAF-NEPJUHHUSA-N
MW191.27 g/mol
LogP2.17
Rot. Bonds1

About (2S,3R)-2-(4-methylphenyl)oxan-3-amine

(2S,3R)-2-(4-methylphenyl)oxan-3-amine (PubChem CID 95757199) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (2S,3R)-2-(4-methylphenyl)oxan-3-amine.

Molecular Properties

Compound Name(2S,3R)-2-(4-methylphenyl)oxan-3-amine
PubChem CID95757199
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(2S,3R)-2-(4-methylphenyl)oxan-3-amine
SMILESCc1ccc([C@@H]2OCCC[C@H]2N)cc1
InChIInChI=1S/C12H17NO/c1-9-4-6-10(7-5-9)12-11(13)3-2-8-14-12/h4-7,11-12H,2-3,8,13H2,1H3/t11-,12+/m1/s1
InChIKeyYGUNMMBWGALCAF-NEPJUHHUSA-N
XLogP2.17
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3S)-2-phenyloxan-3-amine
CID 131044940
2-(4-tert-butylphenyl)oxan-3-amine
CID 79365048
2-(3,5-dimethylphenyl)oxan-3-amine
CID 79364779
2-(4-methylsulfanylphenyl)oxan-3-amine
CID 79364958
2-(4-propan-2-ylphenyl)oxan-3-amine
CID 79365963
(2R,3R)-2-pyridin-4-yloxan-3-amine
CID 124709129
2-(3,4-dimethoxyphenyl)oxan-3-amine
CID 79365049
2-methyl-1-[[2-(4-methylphenyl)oxan-3-yl]methyl]guanidine
CID 111478573
2-(4-cyclopropylphenyl)oxolan-3-amine
CID 79978303
2-(3-chloro-4-methoxyphenyl)oxan-3-amine
CID 79365514
2-[[2-(4-methylphenyl)oxan-3-yl]methyl]-1-propylguanidine
CID 111815582
2-(3,5-dichlorophenyl)oxan-3-amine
CID 79365419

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-(4-methylphenyl)oxan-3-amine?
The IUPAC name of (2S,3R)-2-(4-methylphenyl)oxan-3-amine (CID 95757199) is (2S,3R)-2-(4-methylphenyl)oxan-3-amine.
What is the SMILES notation for (2S,3R)-2-(4-methylphenyl)oxan-3-amine?
The canonical SMILES for (2S,3R)-2-(4-methylphenyl)oxan-3-amine is Cc1ccc([C@@H]2OCCC[C@H]2N)cc1.
What is the InChIKey of (2S,3R)-2-(4-methylphenyl)oxan-3-amine?
The InChIKey is YGUNMMBWGALCAF-NEPJUHHUSA-N. The full InChI is InChI=1S/C12H17NO/c1-9-4-6-10(7-5-9)12-11(13)3-2-8-14-12/h4-7,11-12H,2-3,8,13H2,1H3/t11-,12+/m1/s1.
What are the key properties of (2S,3R)-2-(4-methylphenyl)oxan-3-amine?
(2S,3R)-2-(4-methylphenyl)oxan-3-amine has a molecular weight of 191.27 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-(4-methylphenyl)oxan-3-amine is sourced from PubChem (CID 95757199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).