[(2S,3S)-2-phenyloxan-3-yl]methanamine

C12H17NO — CID 51892912

IUPAC[(2S,3S)-2-phenyloxan-3-yl]methanamine
SMILESNC[C@@H]1CCCO[C@@H]1c1ccccc1
InChIInChI=1S/C12H17NO/c13-9-11-7-4-8-14-12(11)10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9,13H2/t11-,12+/m0/s1
InChIKeyPFCSXYMDUSDGAZ-NWDGAFQWSA-N
MW191.27 g/mol
LogP2.11
Rot. Bonds2

About [(2S,3S)-2-phenyloxan-3-yl]methanamine

[(2S,3S)-2-phenyloxan-3-yl]methanamine (PubChem CID 51892912) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is [(2S,3S)-2-phenyloxan-3-yl]methanamine.

Molecular Properties

Compound Name[(2S,3S)-2-phenyloxan-3-yl]methanamine
PubChem CID51892912
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name[(2S,3S)-2-phenyloxan-3-yl]methanamine
SMILESNC[C@@H]1CCCO[C@@H]1c1ccccc1
InChIInChI=1S/C12H17NO/c13-9-11-7-4-8-14-12(11)10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9,13H2/t11-,12+/m0/s1
InChIKeyPFCSXYMDUSDGAZ-NWDGAFQWSA-N
XLogP2.11
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(3-cyclopropylphenyl)oxan-3-yl]methanamine
CID 79978587
(2R,3S)-2-phenyloxan-3-amine
CID 131044940
[2-(furan-3-yl)oxan-3-yl]methanamine
CID 79367660
(2-benzyloxan-3-yl)methanamine
CID 79367759
[2-(3-bromo-4-methylphenyl)oxan-3-yl]methanamine
CID 105411661
[2-(4-fluorophenyl)oxolan-3-yl]methanamine;hydrochloride
CID 122360291
(2S,3R)-3-fluoro-2-phenyloxane
CID 102315049
[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]methanamine
CID 122164121
[2-(1-phenylethyl)oxan-3-yl]methanamine
CID 79368315
[2-(2,4,5-trimethylphenyl)oxan-3-yl]methanamine
CID 114078375
N'-[(2-phenyloxan-3-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 111075066
N-[(2-phenyloxan-3-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110918244

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-2-phenyloxan-3-yl]methanamine?
The IUPAC name of [(2S,3S)-2-phenyloxan-3-yl]methanamine (CID 51892912) is [(2S,3S)-2-phenyloxan-3-yl]methanamine.
What is the SMILES notation for [(2S,3S)-2-phenyloxan-3-yl]methanamine?
The canonical SMILES for [(2S,3S)-2-phenyloxan-3-yl]methanamine is NC[C@@H]1CCCO[C@@H]1c1ccccc1.
What is the InChIKey of [(2S,3S)-2-phenyloxan-3-yl]methanamine?
The InChIKey is PFCSXYMDUSDGAZ-NWDGAFQWSA-N. The full InChI is InChI=1S/C12H17NO/c13-9-11-7-4-8-14-12(11)10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9,13H2/t11-,12+/m0/s1.
What are the key properties of [(2S,3S)-2-phenyloxan-3-yl]methanamine?
[(2S,3S)-2-phenyloxan-3-yl]methanamine has a molecular weight of 191.27 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-2-phenyloxan-3-yl]methanamine is sourced from PubChem (CID 51892912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).