N-methyl-1-[2-(2-phenylpropyl)oxan-3-yl]methanamine

C16H25NO — CID 79365896

IUPACN-methyl-1-[2-(2-phenylpropyl)oxan-3-yl]methanamine
SMILESCNCC1CCCOC1CC(C)c1ccccc1
InChIInChI=1S/C16H25NO/c1-13(14-7-4-3-5-8-14)11-16-15(12-17-2)9-6-10-18-16/h3-5,7-8,13,15-17H,6,9-12H2,1-2H3
InChIKeyHGUCSWNPUXBUGM-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.19
Rot. Bonds5

About N-methyl-1-[2-(2-phenylpropyl)oxan-3-yl]methanamine

N-methyl-1-[2-(2-phenylpropyl)oxan-3-yl]methanamine (PubChem CID 79365896) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-methyl-1-[2-(2-phenylpropyl)oxan-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(2-phenylpropyl)oxan-3-yl]methanamine
PubChem CID79365896
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-methyl-1-[2-(2-phenylpropyl)oxan-3-yl]methanamine
SMILESCNCC1CCCOC1CC(C)c1ccccc1
InChIInChI=1S/C16H25NO/c1-13(14-7-4-3-5-8-14)11-16-15(12-17-2)9-6-10-18-16/h3-5,7-8,13,15-17H,6,9-12H2,1-2H3
InChIKeyHGUCSWNPUXBUGM-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[2-(2-methylpropyl)oxan-3-yl]methanamine
CID 79364803
N-[[2-(2-phenylpropyl)oxolan-3-yl]methyl]propan-1-amine
CID 79368723
1-(2-benzyloxolan-3-yl)-N-methylmethanamine
CID 79368511
N-methyl-1-[2-(2-methylpropyl)oxolan-3-yl]methanamine
CID 79368608
(2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-phenylpropan-1-amine
CID 40654008
N-(oxolan-2-ylmethyl)-2-phenylpropan-1-amine
CID 3366630
2-(2-phenylpropyl)oxolane-3-carboxylic acid
CID 79368306
N-methyl-1-[2-(4-propan-2-yloxyphenyl)oxan-3-yl]methanamine
CID 79365715
[(2S)-1-cyclopropylpropan-2-yl]benzene
CID 169109278
(3R)-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylbutanamide
CID 1122236
(3S)-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylbutanamide
CID 1122235
2-methyl-N-[[2-(2-methylpropyl)oxan-3-yl]methyl]propan-1-amine
CID 79365214

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(2-phenylpropyl)oxan-3-yl]methanamine?
The IUPAC name of N-methyl-1-[2-(2-phenylpropyl)oxan-3-yl]methanamine (CID 79365896) is N-methyl-1-[2-(2-phenylpropyl)oxan-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(2-phenylpropyl)oxan-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-(2-phenylpropyl)oxan-3-yl]methanamine is CNCC1CCCOC1CC(C)c1ccccc1.
What is the InChIKey of N-methyl-1-[2-(2-phenylpropyl)oxan-3-yl]methanamine?
The InChIKey is HGUCSWNPUXBUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-13(14-7-4-3-5-8-14)11-16-15(12-17-2)9-6-10-18-16/h3-5,7-8,13,15-17H,6,9-12H2,1-2H3.
What are the key properties of N-methyl-1-[2-(2-phenylpropyl)oxan-3-yl]methanamine?
N-methyl-1-[2-(2-phenylpropyl)oxan-3-yl]methanamine has a molecular weight of 247.38 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(2-phenylpropyl)oxan-3-yl]methanamine is sourced from PubChem (CID 79365896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).