2-methyl-N-[(5-methyloxolan-2-yl)methyl]-2-phenylpropan-1-amine

C16H25NO — CID 82836262

IUPAC2-methyl-N-[(5-methyloxolan-2-yl)methyl]-2-phenylpropan-1-amine
SMILESCC1CCC(CNCC(C)(C)c2ccccc2)O1
InChIInChI=1S/C16H25NO/c1-13-9-10-15(18-13)11-17-12-16(2,3)14-7-5-4-6-8-14/h4-8,13,15,17H,9-12H2,1-3H3
InChIKeyPRBPKLFRVDLTPW-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.12
Rot. Bonds5

About 2-methyl-N-[(5-methyloxolan-2-yl)methyl]-2-phenylpropan-1-amine

2-methyl-N-[(5-methyloxolan-2-yl)methyl]-2-phenylpropan-1-amine (PubChem CID 82836262) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-methyl-N-[(5-methyloxolan-2-yl)methyl]-2-phenylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(5-methyloxolan-2-yl)methyl]-2-phenylpropan-1-amine
PubChem CID82836262
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-methyl-N-[(5-methyloxolan-2-yl)methyl]-2-phenylpropan-1-amine
SMILESCC1CCC(CNCC(C)(C)c2ccccc2)O1
InChIInChI=1S/C16H25NO/c1-13-9-10-15(18-13)11-17-12-16(2,3)14-7-5-4-6-8-14/h4-8,13,15,17H,9-12H2,1-3H3
InChIKeyPRBPKLFRVDLTPW-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-(oxan-3-ylmethyl)-2-phenylpropan-1-amine
CID 63740219
3,3-dimethyl-N-[(5-methyloxolan-2-yl)methyl]-1-phenylbutan-1-amine
CID 82836542
2-methyl-N-[(1-methylpiperidin-2-yl)methyl]-2-phenylpropan-1-amine
CID 62657745
N-[(5-methyloxolan-2-yl)methyl]-2-(trifluoromethylsulfanyl)aniline
CID 82834612
2,6-dibromo-N-[(5-methyloxolan-2-yl)methyl]aniline
CID 107597405
2-cyclopropyl-N-[(5-methyloxolan-2-yl)methyl]ethanamine
CID 82836481
N-[(5-methyloxolan-2-yl)methyl]-2-(trifluoromethoxy)aniline
CID 82833774
1-(5-methyloxolan-2-yl)-N-[(3-methylphenyl)methyl]methanamine
CID 82834330
1-(4-tert-butylphenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine
CID 82834989
N-[(5-methyloxolan-2-yl)methyl]-1-phenylbutan-1-amine
CID 82833707
1-(oxan-2-ylmethylamino)-2-phenylpropan-2-ol
CID 55068618
(2S,5S)-2-methyl-5-(phenylselanylmethyl)oxolane
CID 71355561

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(5-methyloxolan-2-yl)methyl]-2-phenylpropan-1-amine?
The IUPAC name of 2-methyl-N-[(5-methyloxolan-2-yl)methyl]-2-phenylpropan-1-amine (CID 82836262) is 2-methyl-N-[(5-methyloxolan-2-yl)methyl]-2-phenylpropan-1-amine.
What is the SMILES notation for 2-methyl-N-[(5-methyloxolan-2-yl)methyl]-2-phenylpropan-1-amine?
The canonical SMILES for 2-methyl-N-[(5-methyloxolan-2-yl)methyl]-2-phenylpropan-1-amine is CC1CCC(CNCC(C)(C)c2ccccc2)O1.
What is the InChIKey of 2-methyl-N-[(5-methyloxolan-2-yl)methyl]-2-phenylpropan-1-amine?
The InChIKey is PRBPKLFRVDLTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-13-9-10-15(18-13)11-17-12-16(2,3)14-7-5-4-6-8-14/h4-8,13,15,17H,9-12H2,1-3H3.
What are the key properties of 2-methyl-N-[(5-methyloxolan-2-yl)methyl]-2-phenylpropan-1-amine?
2-methyl-N-[(5-methyloxolan-2-yl)methyl]-2-phenylpropan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(5-methyloxolan-2-yl)methyl]-2-phenylpropan-1-amine is sourced from PubChem (CID 82836262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).