N-ethyl-1-(3-methyloxolan-2-yl)-3-phenylpropan-1-amine

C16H25NO — CID 115794047

IUPACN-ethyl-1-(3-methyloxolan-2-yl)-3-phenylpropan-1-amine
SMILESCCNC(CCc1ccccc1)C1OCCC1C
InChIInChI=1S/C16H25NO/c1-3-17-15(16-13(2)11-12-18-16)10-9-14-7-5-4-6-8-14/h4-8,13,15-17H,3,9-12H2,1-2H3
InChIKeyAQXMNGDBTAPTKK-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.02
Rot. Bonds6

About N-ethyl-1-(3-methyloxolan-2-yl)-3-phenylpropan-1-amine

N-ethyl-1-(3-methyloxolan-2-yl)-3-phenylpropan-1-amine (PubChem CID 115794047) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-ethyl-1-(3-methyloxolan-2-yl)-3-phenylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-methyloxolan-2-yl)-3-phenylpropan-1-amine
PubChem CID115794047
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-ethyl-1-(3-methyloxolan-2-yl)-3-phenylpropan-1-amine
SMILESCCNC(CCc1ccccc1)C1OCCC1C
InChIInChI=1S/C16H25NO/c1-3-17-15(16-13(2)11-12-18-16)10-9-14-7-5-4-6-8-14/h4-8,13,15-17H,3,9-12H2,1-2H3
InChIKeyAQXMNGDBTAPTKK-UHFFFAOYSA-N
XLogP3.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(3-methyloxolan-2-yl)-2-naphthalen-1-ylethanamine
CID 115838617
3-cyclopropyl-N-ethyl-1-(3-methyloxolan-2-yl)propan-1-amine
CID 104994998
N-ethyl-2-(4-fluorophenyl)-1-(3-methyloxolan-2-yl)ethanamine
CID 115786402
2-(3,5-difluorophenyl)-N-ethyl-1-(3-methyloxolan-2-yl)ethanamine
CID 105412613
N-ethyl-1-(3-methyloxolan-2-yl)hex-5-en-1-amine
CID 104986910
N-methyl-1-(2-methyloxolan-3-yl)-3-phenylpropan-1-amine
CID 115793579
N-ethyl-2-(1-methylbenzimidazol-2-yl)-1-(3-methyloxolan-2-yl)ethanamine
CID 105007607
N-ethyl-1-(3-methyl-1,4-dithian-2-yl)-3-phenylpropan-1-amine
CID 115387134
N-ethyl-1-(oxan-4-yl)-4-phenylbutan-1-amine
CID 65334608
1-(1,1-dioxothiolan-3-yl)-N-ethyl-3-phenylpropan-1-amine
CID 62881944
1-(oxan-2-yl)-3-phenyl-N-propylpropan-1-amine
CID 115794372
1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-3-phenylpropan-1-amine
CID 79658524

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-methyloxolan-2-yl)-3-phenylpropan-1-amine?
The IUPAC name of N-ethyl-1-(3-methyloxolan-2-yl)-3-phenylpropan-1-amine (CID 115794047) is N-ethyl-1-(3-methyloxolan-2-yl)-3-phenylpropan-1-amine.
What is the SMILES notation for N-ethyl-1-(3-methyloxolan-2-yl)-3-phenylpropan-1-amine?
The canonical SMILES for N-ethyl-1-(3-methyloxolan-2-yl)-3-phenylpropan-1-amine is CCNC(CCc1ccccc1)C1OCCC1C.
What is the InChIKey of N-ethyl-1-(3-methyloxolan-2-yl)-3-phenylpropan-1-amine?
The InChIKey is AQXMNGDBTAPTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-17-15(16-13(2)11-12-18-16)10-9-14-7-5-4-6-8-14/h4-8,13,15-17H,3,9-12H2,1-2H3.
What are the key properties of N-ethyl-1-(3-methyloxolan-2-yl)-3-phenylpropan-1-amine?
N-ethyl-1-(3-methyloxolan-2-yl)-3-phenylpropan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-methyloxolan-2-yl)-3-phenylpropan-1-amine is sourced from PubChem (CID 115794047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).