4-methyl-N-[(2S)-2-phenylpropyl]oxan-4-amine

C15H23NO — CID 124616999

IUPAC4-methyl-N-[(2S)-2-phenylpropyl]oxan-4-amine
SMILESC[C@H](CNC1(C)CCOCC1)c1ccccc1
InChIInChI=1S/C15H23NO/c1-13(14-6-4-3-5-7-14)12-16-15(2)8-10-17-11-9-15/h3-7,13,16H,8-12H2,1-2H3/t13-/m1/s1
InChIKeyHOGSETWHSOSSMX-CYBMUJFWSA-N
MW233.36 g/mol
LogP2.95
Rot. Bonds4

About 4-methyl-N-[(2S)-2-phenylpropyl]oxan-4-amine

4-methyl-N-[(2S)-2-phenylpropyl]oxan-4-amine (PubChem CID 124616999) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 4-methyl-N-[(2S)-2-phenylpropyl]oxan-4-amine.

Molecular Properties

Compound Name4-methyl-N-[(2S)-2-phenylpropyl]oxan-4-amine
PubChem CID124616999
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name4-methyl-N-[(2S)-2-phenylpropyl]oxan-4-amine
SMILESC[C@H](CNC1(C)CCOCC1)c1ccccc1
InChIInChI=1S/C15H23NO/c1-13(14-6-4-3-5-7-14)12-16-15(2)8-10-17-11-9-15/h3-7,13,16H,8-12H2,1-2H3/t13-/m1/s1
InChIKeyHOGSETWHSOSSMX-CYBMUJFWSA-N
XLogP2.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-methyloxan-4-yl)amino]-2-phenylpropanoic acid
CID 113491071
N-[(4-methyloxan-4-yl)methyl]-1-phenylethanamine
CID 103742213
1-(2-fluorophenyl)-2-[(4-methyloxan-4-yl)amino]ethanol
CID 113491063
N-[1-(oxan-4-yl)ethyl]-2-phenylpropan-1-amine
CID 113259795
(2R)-2-phenyl-N-[(2S)-2-phenylpropyl]propan-1-amine
CID 7054159
4-methyl-N-[(4-phenylphenyl)methyl]oxan-4-amine
CID 115758046
(2R)-N-(2-morpholin-4-ylethyl)-2-phenylpropan-1-amine
CID 28617584
[4-methyl-1-(2-phenylpropylamino)cyclohexyl]methanol
CID 62527967
4-(aminomethyl)-N-[(1S)-1-phenylethyl]oxan-4-amine
CID 95241594
(2S)-2-(cyclodecapentaenyl)-N-methylpropan-1-amine
CID 166722722
2-methyl-1-[(4-methylsulfonyloxan-4-yl)methyl]-3-(2-phenylpropyl)guanidine
CID 111796266
[(3R)-3-[[(2R)-2-(4-fluorophenyl)propyl]amino]oxolan-3-yl]methanol
CID 100649405

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(2S)-2-phenylpropyl]oxan-4-amine?
The IUPAC name of 4-methyl-N-[(2S)-2-phenylpropyl]oxan-4-amine (CID 124616999) is 4-methyl-N-[(2S)-2-phenylpropyl]oxan-4-amine.
What is the SMILES notation for 4-methyl-N-[(2S)-2-phenylpropyl]oxan-4-amine?
The canonical SMILES for 4-methyl-N-[(2S)-2-phenylpropyl]oxan-4-amine is C[C@H](CNC1(C)CCOCC1)c1ccccc1.
What is the InChIKey of 4-methyl-N-[(2S)-2-phenylpropyl]oxan-4-amine?
The InChIKey is HOGSETWHSOSSMX-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H23NO/c1-13(14-6-4-3-5-7-14)12-16-15(2)8-10-17-11-9-15/h3-7,13,16H,8-12H2,1-2H3/t13-/m1/s1.
What are the key properties of 4-methyl-N-[(2S)-2-phenylpropyl]oxan-4-amine?
4-methyl-N-[(2S)-2-phenylpropyl]oxan-4-amine has a molecular weight of 233.36 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(2S)-2-phenylpropyl]oxan-4-amine is sourced from PubChem (CID 124616999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).