2-methyl-N-(oxan-3-ylmethyl)-2-phenylpropan-1-amine

C16H25NO — CID 63740219

IUPAC2-methyl-N-(oxan-3-ylmethyl)-2-phenylpropan-1-amine
SMILESCC(C)(CNCC1CCCOC1)c1ccccc1
InChIInChI=1S/C16H25NO/c1-16(2,15-8-4-3-5-9-15)13-17-11-14-7-6-10-18-12-14/h3-5,8-9,14,17H,6-7,10-13H2,1-2H3
InChIKeyVWZLEKGTDYPZFC-UHFFFAOYSA-N
MW247.38 g/mol
LogP2.98
Rot. Bonds5

About 2-methyl-N-(oxan-3-ylmethyl)-2-phenylpropan-1-amine

2-methyl-N-(oxan-3-ylmethyl)-2-phenylpropan-1-amine (PubChem CID 63740219) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-methyl-N-(oxan-3-ylmethyl)-2-phenylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(oxan-3-ylmethyl)-2-phenylpropan-1-amine
PubChem CID63740219
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-methyl-N-(oxan-3-ylmethyl)-2-phenylpropan-1-amine
SMILESCC(C)(CNCC1CCCOC1)c1ccccc1
InChIInChI=1S/C16H25NO/c1-16(2,15-8-4-3-5-9-15)13-17-11-14-7-6-10-18-12-14/h3-5,8-9,14,17H,6-7,10-13H2,1-2H3
InChIKeyVWZLEKGTDYPZFC-UHFFFAOYSA-N
XLogP2.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N,2-N,2-trimethyl-1-N-(oxan-3-ylmethyl)propane-1,2-diamine
CID 63737020
1-[(3S)-oxan-3-yl]-N-[[(3S)-oxan-3-yl]methyl]methanamine
CID 129371205
N-(2-methyl-2-phenylpropyl)oxolan-3-amine
CID 63335150
2,2-dimethyl-3-(oxan-3-ylmethylamino)propanenitrile
CID 104587296
4-methoxy-2,2-dimethyl-N-(oxan-3-ylmethyl)butan-1-amine
CID 104625195
N-(oxan-3-ylmethyl)-3-phenoxypropan-1-amine
CID 62935741
N,N-diethyl-N'-(oxan-3-ylmethyl)-1-phenylethane-1,2-diamine
CID 63736846
1-cyclopentyl-N-(oxan-3-ylmethyl)methanamine
CID 61342622
1-[2-(oxan-3-ylmethylamino)phenyl]ethanol
CID 63739863
1-(oxan-3-yl)-N-[(5-phenylthiophen-2-yl)methyl]methanamine
CID 61019456
2-methyl-N-(oxan-3-ylmethyl)-1-phenylpropan-1-amine
CID 54905602
N-(oxan-3-ylmethyl)benzenesulfonamide
CID 47320394

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(oxan-3-ylmethyl)-2-phenylpropan-1-amine?
The IUPAC name of 2-methyl-N-(oxan-3-ylmethyl)-2-phenylpropan-1-amine (CID 63740219) is 2-methyl-N-(oxan-3-ylmethyl)-2-phenylpropan-1-amine.
What is the SMILES notation for 2-methyl-N-(oxan-3-ylmethyl)-2-phenylpropan-1-amine?
The canonical SMILES for 2-methyl-N-(oxan-3-ylmethyl)-2-phenylpropan-1-amine is CC(C)(CNCC1CCCOC1)c1ccccc1.
What is the InChIKey of 2-methyl-N-(oxan-3-ylmethyl)-2-phenylpropan-1-amine?
The InChIKey is VWZLEKGTDYPZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-16(2,15-8-4-3-5-9-15)13-17-11-14-7-6-10-18-12-14/h3-5,8-9,14,17H,6-7,10-13H2,1-2H3.
What are the key properties of 2-methyl-N-(oxan-3-ylmethyl)-2-phenylpropan-1-amine?
2-methyl-N-(oxan-3-ylmethyl)-2-phenylpropan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(oxan-3-ylmethyl)-2-phenylpropan-1-amine is sourced from PubChem (CID 63740219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).