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

C16H25NO — CID 54940930

IUPAC2-methyl-N-(oxan-2-ylmethyl)-1-phenylpropan-1-amine
SMILESCC(C)C(NCC1CCCCO1)c1ccccc1
InChIInChI=1S/C16H25NO/c1-13(2)16(14-8-4-3-5-9-14)17-12-15-10-6-7-11-18-15/h3-5,8-9,13,15-17H,6-7,10-12H2,1-2H3
InChIKeyFHUWTEUTDFRWFX-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.54
Rot. Bonds5

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

2-methyl-N-(oxan-2-ylmethyl)-1-phenylpropan-1-amine (PubChem CID 54940930) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-methyl-N-(oxan-2-ylmethyl)-1-phenylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(oxan-2-ylmethyl)-1-phenylpropan-1-amine
PubChem CID54940930
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-methyl-N-(oxan-2-ylmethyl)-1-phenylpropan-1-amine
SMILESCC(C)C(NCC1CCCCO1)c1ccccc1
InChIInChI=1S/C16H25NO/c1-13(2)16(14-8-4-3-5-9-14)17-12-15-10-6-7-11-18-15/h3-5,8-9,13,15-17H,6-7,10-12H2,1-2H3
InChIKeyFHUWTEUTDFRWFX-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-iodophenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 55014093
N-(oxan-2-ylmethyl)-4-phenylbutan-2-amine
CID 60688470
1-(furan-2-yl)-N-(oxan-2-ylmethyl)ethanamine
CID 43403758
1-(2-methylphenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 54940082
2-methyl-N-(oxan-3-ylmethyl)-1-phenylpropan-1-amine
CID 54905602
N-(oxan-2-ylmethyl)-1-pyridin-3-ylethanamine
CID 43403760
(1R)-1-(3-chlorophenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 81372258
1-(3-bromophenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 54949073
(2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-phenylpropan-1-amine
CID 40654008
N-(oxolan-2-ylmethyl)-2-phenylpropan-1-amine
CID 3366630
(1S)-N-[2-(oxolan-2-yl)ethyl]-1-phenylethanamine
CID 65163698
(1R)-1-(2-chlorophenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 81378620

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(oxan-2-ylmethyl)-1-phenylpropan-1-amine?
The IUPAC name of 2-methyl-N-(oxan-2-ylmethyl)-1-phenylpropan-1-amine (CID 54940930) is 2-methyl-N-(oxan-2-ylmethyl)-1-phenylpropan-1-amine.
What is the SMILES notation for 2-methyl-N-(oxan-2-ylmethyl)-1-phenylpropan-1-amine?
The canonical SMILES for 2-methyl-N-(oxan-2-ylmethyl)-1-phenylpropan-1-amine is CC(C)C(NCC1CCCCO1)c1ccccc1.
What is the InChIKey of 2-methyl-N-(oxan-2-ylmethyl)-1-phenylpropan-1-amine?
The InChIKey is FHUWTEUTDFRWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-13(2)16(14-8-4-3-5-9-14)17-12-15-10-6-7-11-18-15/h3-5,8-9,13,15-17H,6-7,10-12H2,1-2H3.
What are the key properties of 2-methyl-N-(oxan-2-ylmethyl)-1-phenylpropan-1-amine?
2-methyl-N-(oxan-2-ylmethyl)-1-phenylpropan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.54, 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-2-ylmethyl)-1-phenylpropan-1-amine is sourced from PubChem (CID 54940930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).