N-[(4-ethylphenyl)methyl]-2-(oxan-2-yl)ethanamine

C16H25NO — CID 113362830

IUPACN-[(4-ethylphenyl)methyl]-2-(oxan-2-yl)ethanamine
SMILESCCc1ccc(CNCCC2CCCCO2)cc1
InChIInChI=1S/C16H25NO/c1-2-14-6-8-15(9-7-14)13-17-11-10-16-5-3-4-12-18-16/h6-9,16-17H,2-5,10-13H2,1H3
InChIKeyIAXYJQZKAIYMTM-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.30
Rot. Bonds6

About N-[(4-ethylphenyl)methyl]-2-(oxan-2-yl)ethanamine

N-[(4-ethylphenyl)methyl]-2-(oxan-2-yl)ethanamine (PubChem CID 113362830) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-2-(oxan-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-2-(oxan-2-yl)ethanamine
PubChem CID113362830
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[(4-ethylphenyl)methyl]-2-(oxan-2-yl)ethanamine
SMILESCCc1ccc(CNCCC2CCCCO2)cc1
InChIInChI=1S/C16H25NO/c1-2-14-6-8-15(9-7-14)13-17-11-10-16-5-3-4-12-18-16/h6-9,16-17H,2-5,10-13H2,1H3
InChIKeyIAXYJQZKAIYMTM-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(5-ethylthiophen-2-yl)methyl]-2-(oxan-2-yl)ethanamine
CID 113362826
methyl 4-[[2-(oxolan-2-yl)ethylamino]methyl]benzoate
CID 60767010
N-[(4-chloro-3-fluorophenyl)methyl]-2-(oxan-2-yl)ethanamine
CID 113362843
N-ethyl-2-(oxan-2-yl)ethanamine
CID 62549165
N-[(5-fluoro-2-methylphenyl)methyl]-2-(oxan-2-yl)ethanamine
CID 103992756
N-[(5-methylfuran-2-yl)methyl]-2-(oxan-2-yl)ethanamine
CID 103992898
N-[(3-methylfuran-2-yl)methyl]-2-(oxan-2-yl)ethanamine
CID 103992828
2-(oxan-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 103992849
N-[(2-chloro-4-fluorophenyl)methyl]-2-(oxan-2-yl)ethanamine
CID 113362834
2-fluoro-4-[[2-(oxolan-2-yl)ethylamino]methyl]aniline
CID 55159271
N-[(3,4-dimethylphenyl)methyl]-1-(oxan-2-yl)methanamine
CID 55014332
N-[(5-fluoro-2-methylphenyl)methyl]-2-(oxolan-2-yl)ethanamine
CID 115967929

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-2-(oxan-2-yl)ethanamine?
The IUPAC name of N-[(4-ethylphenyl)methyl]-2-(oxan-2-yl)ethanamine (CID 113362830) is N-[(4-ethylphenyl)methyl]-2-(oxan-2-yl)ethanamine.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-2-(oxan-2-yl)ethanamine?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-2-(oxan-2-yl)ethanamine is CCc1ccc(CNCCC2CCCCO2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-2-(oxan-2-yl)ethanamine?
The InChIKey is IAXYJQZKAIYMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-2-14-6-8-15(9-7-14)13-17-11-10-16-5-3-4-12-18-16/h6-9,16-17H,2-5,10-13H2,1H3.
What are the key properties of N-[(4-ethylphenyl)methyl]-2-(oxan-2-yl)ethanamine?
N-[(4-ethylphenyl)methyl]-2-(oxan-2-yl)ethanamine has a molecular weight of 247.38 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-2-(oxan-2-yl)ethanamine is sourced from PubChem (CID 113362830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).