(2S,3S)-N-methyl-2-phenyloxan-3-amine

C12H17NO — CID 95562331

IUPAC(2S,3S)-N-methyl-2-phenyloxan-3-amine
SMILESCN[C@H]1CCCO[C@H]1c1ccccc1
InChIInChI=1S/C12H17NO/c1-13-11-8-5-9-14-12(11)10-6-3-2-4-7-10/h2-4,6-7,11-13H,5,8-9H2,1H3/t11-,12-/m0/s1
InChIKeyXDTINDYHYPOJLF-RYUDHWBXSA-N
MW191.27 g/mol
LogP2.13
Rot. Bonds2

About (2S,3S)-N-methyl-2-phenyloxan-3-amine

(2S,3S)-N-methyl-2-phenyloxan-3-amine (PubChem CID 95562331) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (2S,3S)-N-methyl-2-phenyloxan-3-amine.

Molecular Properties

Compound Name(2S,3S)-N-methyl-2-phenyloxan-3-amine
PubChem CID95562331
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(2S,3S)-N-methyl-2-phenyloxan-3-amine
SMILESCN[C@H]1CCCO[C@H]1c1ccccc1
InChIInChI=1S/C12H17NO/c1-13-11-8-5-9-14-12(11)10-6-3-2-4-7-10/h2-4,6-7,11-13H,5,8-9H2,1H3/t11-,12-/m0/s1
InChIKeyXDTINDYHYPOJLF-RYUDHWBXSA-N
XLogP2.13
TPSA21.26 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 ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3S)-2-phenyloxan-3-amine
CID 131044940
(2S,3R)-3-fluoro-2-phenyloxane
CID 102315049
(2R,3R)-2-phenyl-3-prop-1-en-2-yloxane
CID 134858494
[(2S,3S)-2-phenyloxan-3-yl]methanamine
CID 51892912
N,N-dimethylmethanamine;2-phenyloxolane
CID 71271242
(2R,3S)-2-phenyl-3-phenylselanyloxane
CID 101160318
(2R,3S)-N,2-dimethyloxan-3-amine
CID 129044536
N-(2-methylpiperidin-3-yl)-2-phenyloxane-3-carboxamide;hydrochloride
CID 120573458
(2S,3R)-3-(benzenesulfonyl)-2-phenyloxane
CID 102080205
2-N-benzyl-1-N-methylcyclohexane-1,2-diamine
CID 149139761
(2R,3S)-2-(4-methylphenyl)-N-(pyridin-4-ylmethyl)oxan-3-amine
CID 124508072
N-[(2S,3S)-2-(4-methylphenyl)oxan-3-yl]oxane-4-carboxamide
CID 95964708

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-methyl-2-phenyloxan-3-amine?
The IUPAC name of (2S,3S)-N-methyl-2-phenyloxan-3-amine (CID 95562331) is (2S,3S)-N-methyl-2-phenyloxan-3-amine.
What is the SMILES notation for (2S,3S)-N-methyl-2-phenyloxan-3-amine?
The canonical SMILES for (2S,3S)-N-methyl-2-phenyloxan-3-amine is CN[C@H]1CCCO[C@H]1c1ccccc1.
What is the InChIKey of (2S,3S)-N-methyl-2-phenyloxan-3-amine?
The InChIKey is XDTINDYHYPOJLF-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H17NO/c1-13-11-8-5-9-14-12(11)10-6-3-2-4-7-10/h2-4,6-7,11-13H,5,8-9H2,1H3/t11-,12-/m0/s1.
What are the key properties of (2S,3S)-N-methyl-2-phenyloxan-3-amine?
(2S,3S)-N-methyl-2-phenyloxan-3-amine has a molecular weight of 191.27 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-methyl-2-phenyloxan-3-amine is sourced from PubChem (CID 95562331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).