N-[(4-ethylphenyl)methyl]-1-(oxan-4-yl)ethanamine

C16H25NO — CID 103769025

IUPACN-[(4-ethylphenyl)methyl]-1-(oxan-4-yl)ethanamine
SMILESCCc1ccc(CNC(C)C2CCOCC2)cc1
InChIInChI=1S/C16H25NO/c1-3-14-4-6-15(7-5-14)12-17-13(2)16-8-10-18-11-9-16/h4-7,13,16-17H,3,8-12H2,1-2H3
InChIKeyOHYAPYCNNPRTAD-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.15
Rot. Bonds5

About N-[(4-ethylphenyl)methyl]-1-(oxan-4-yl)ethanamine

N-[(4-ethylphenyl)methyl]-1-(oxan-4-yl)ethanamine (PubChem CID 103769025) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-1-(oxan-4-yl)ethanamine.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-1-(oxan-4-yl)ethanamine
PubChem CID103769025
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[(4-ethylphenyl)methyl]-1-(oxan-4-yl)ethanamine
SMILESCCc1ccc(CNC(C)C2CCOCC2)cc1
InChIInChI=1S/C16H25NO/c1-3-14-4-6-15(7-5-14)12-17-13(2)16-8-10-18-11-9-16/h4-7,13,16-17H,3,8-12H2,1-2H3
InChIKeyOHYAPYCNNPRTAD-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-cyclopentyl-N-[(4-ethylphenyl)methyl]ethanamine
CID 81386101
(1S)-1-cyclohexyl-N-[(4-ethylphenyl)methyl]ethanamine
CID 81387895
N-[(4-ethylphenyl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine
CID 103779601
4-[[1-(oxan-4-yl)ethylamino]methyl]benzamide
CID 103768922
N-[(3-fluorophenyl)methyl]-1-(oxan-4-yl)ethanamine
CID 103769024
N-[(4-chlorophenyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655135
N-[(4-chloro-3-fluorophenyl)methyl]-1-(oxan-4-yl)ethanamine
CID 103769034
N-[(4-imidazol-1-ylphenyl)methyl]-1-(oxan-4-yl)ethanamine
CID 103769112
1-cyclopropyl-N-[(4-cyclopropylphenyl)methyl]ethanamine
CID 79979277
2-methoxy-4-[[1-(oxan-4-yl)ethylamino]methyl]phenol
CID 103779359
N-[(4-butoxyphenyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655195
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(oxan-4-yl)ethanamine
CID 103769057

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-1-(oxan-4-yl)ethanamine?
The IUPAC name of N-[(4-ethylphenyl)methyl]-1-(oxan-4-yl)ethanamine (CID 103769025) is N-[(4-ethylphenyl)methyl]-1-(oxan-4-yl)ethanamine.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-1-(oxan-4-yl)ethanamine?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-1-(oxan-4-yl)ethanamine is CCc1ccc(CNC(C)C2CCOCC2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-1-(oxan-4-yl)ethanamine?
The InChIKey is OHYAPYCNNPRTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-14-4-6-15(7-5-14)12-17-13(2)16-8-10-18-11-9-16/h4-7,13,16-17H,3,8-12H2,1-2H3.
What are the key properties of N-[(4-ethylphenyl)methyl]-1-(oxan-4-yl)ethanamine?
N-[(4-ethylphenyl)methyl]-1-(oxan-4-yl)ethanamine has a molecular weight of 247.38 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-1-(oxan-4-yl)ethanamine is sourced from PubChem (CID 103769025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).