(3S,4S)-3-methoxy-N-[(1S)-1-phenylethyl]oxan-4-amine

C14H21NO2 — CID 58035147

IUPAC(3S,4S)-3-methoxy-N-[(1S)-1-phenylethyl]oxan-4-amine
SMILESCO[C@@H]1COCC[C@@H]1N[C@@H](C)c1ccccc1
InChIInChI=1S/C14H21NO2/c1-11(12-6-4-3-5-7-12)15-13-8-9-17-10-14(13)16-2/h3-7,11,13-15H,8-10H2,1-2H3/t11-,13-,14+/m0/s1
InChIKeyNCAVNBUJRNVPQK-FPMFFAJLSA-N
MW235.33 g/mol
LogP2.14
Rot. Bonds4

About (3S,4S)-3-methoxy-N-[(1S)-1-phenylethyl]oxan-4-amine

(3S,4S)-3-methoxy-N-[(1S)-1-phenylethyl]oxan-4-amine (PubChem CID 58035147) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is (3S,4S)-3-methoxy-N-[(1S)-1-phenylethyl]oxan-4-amine.

Molecular Properties

Compound Name(3S,4S)-3-methoxy-N-[(1S)-1-phenylethyl]oxan-4-amine
PubChem CID58035147
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name(3S,4S)-3-methoxy-N-[(1S)-1-phenylethyl]oxan-4-amine
SMILESCO[C@@H]1COCC[C@@H]1N[C@@H](C)c1ccccc1
InChIInChI=1S/C14H21NO2/c1-11(12-6-4-3-5-7-12)15-13-8-9-17-10-14(13)16-2/h3-7,11,13-15H,8-10H2,1-2H3/t11-,13-,14+/m0/s1
InChIKeyNCAVNBUJRNVPQK-FPMFFAJLSA-N
XLogP2.14
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-phenylethyl)oxan-4-amine
CID 43608319
ethyl (3R,4R)-3-[[(1S)-1-phenylethyl]amino]oxane-4-carboxylate
CID 86708998
2-[[(3S,4R)-3-methoxyoxan-4-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 166276773
1-N,2-N-bis(1-phenylethyl)cyclopentane-1,2-diamine
CID 23154294
N-[(3R,4S)-3-methoxyoxan-4-yl]-1,3-benzothiazol-2-amine
CID 131926651
cis-(1R,2S)-2-ethoxy-N-[(1R)-1-phenylethyl]cyclohexan-1-amine
CID 10988624
cis-(1S,2R)-2-[[(1R)-1-phenylethyl]amino]cyclobutan-1-ol
CID 10609367
ethyl (3R,4S)-3-methoxy-4-(1-phenylethylamino)piperidine-1-carboxylate
CID 67914576
bis[(3S,4R)-3-methoxy-4-[[(1R)-1-phenylethyl]amino]piperidine-1-carbonyl] butanedioate
CID 135283675
2-methoxy-N-[1-(4-methoxyphenyl)ethyl]cyclopentan-1-amine
CID 62086759
(2S,4S,5S)-2-methyl-5-[[(1R)-1-phenylethyl]amino]oxan-4-ol
CID 118041503
4-[[(1S)-1-phenylethyl]amino]oxolane-3-carboxylic acid
CID 175965674

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-methoxy-N-[(1S)-1-phenylethyl]oxan-4-amine?
The IUPAC name of (3S,4S)-3-methoxy-N-[(1S)-1-phenylethyl]oxan-4-amine (CID 58035147) is (3S,4S)-3-methoxy-N-[(1S)-1-phenylethyl]oxan-4-amine.
What is the SMILES notation for (3S,4S)-3-methoxy-N-[(1S)-1-phenylethyl]oxan-4-amine?
The canonical SMILES for (3S,4S)-3-methoxy-N-[(1S)-1-phenylethyl]oxan-4-amine is CO[C@@H]1COCC[C@@H]1N[C@@H](C)c1ccccc1.
What is the InChIKey of (3S,4S)-3-methoxy-N-[(1S)-1-phenylethyl]oxan-4-amine?
The InChIKey is NCAVNBUJRNVPQK-FPMFFAJLSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11(12-6-4-3-5-7-12)15-13-8-9-17-10-14(13)16-2/h3-7,11,13-15H,8-10H2,1-2H3/t11-,13-,14+/m0/s1.
What are the key properties of (3S,4S)-3-methoxy-N-[(1S)-1-phenylethyl]oxan-4-amine?
(3S,4S)-3-methoxy-N-[(1S)-1-phenylethyl]oxan-4-amine has a molecular weight of 235.33 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-methoxy-N-[(1S)-1-phenylethyl]oxan-4-amine is sourced from PubChem (CID 58035147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).