3-ethoxy-4-methoxy-N-(oxan-4-ylmethyl)aniline

C15H23NO3 — CID 62384517

IUPAC3-ethoxy-4-methoxy-N-(oxan-4-ylmethyl)aniline
SMILESCCOc1cc(NCC2CCOCC2)ccc1OC
InChIInChI=1S/C15H23NO3/c1-3-19-15-10-13(4-5-14(15)17-2)16-11-12-6-8-18-9-7-12/h4-5,10,12,16H,3,6-9,11H2,1-2H3
InChIKeyFGQJDISEOFSLAH-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.93
Rot. Bonds6

About 3-ethoxy-4-methoxy-N-(oxan-4-ylmethyl)aniline

3-ethoxy-4-methoxy-N-(oxan-4-ylmethyl)aniline (PubChem CID 62384517) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 3-ethoxy-4-methoxy-N-(oxan-4-ylmethyl)aniline.

Molecular Properties

Compound Name3-ethoxy-4-methoxy-N-(oxan-4-ylmethyl)aniline
PubChem CID62384517
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name3-ethoxy-4-methoxy-N-(oxan-4-ylmethyl)aniline
SMILESCCOc1cc(NCC2CCOCC2)ccc1OC
InChIInChI=1S/C15H23NO3/c1-3-19-15-10-13(4-5-14(15)17-2)16-11-12-6-8-18-9-7-12/h4-5,10,12,16H,3,6-9,11H2,1-2H3
InChIKeyFGQJDISEOFSLAH-UHFFFAOYSA-N
XLogP2.93
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3,4-diethoxy-N-(oxolan-3-ylmethyl)aniline
CID 43193089
3-ethoxy-4-methoxy-N-(piperidin-4-ylmethyl)aniline
CID 79708094
3,4-diethoxy-N-(piperidin-4-ylmethyl)aniline
CID 79699182
N-[(4-aminocyclohexyl)methyl]-3,4-dimethoxyaniline
CID 59230810
N-cyclopentyl-3-ethoxy-4-methoxyaniline
CID 43729865
3-(difluoromethoxy)-4-methoxy-N-(oxan-3-ylmethyl)aniline
CID 63739495
3,4-dimethoxy-N-(thiolan-3-ylmethyl)aniline
CID 107131165
[5-[(3-ethoxy-4-methoxyanilino)methyl]furan-2-yl]methanol
CID 64580720
4-methyl-1-N-(oxan-4-ylmethyl)benzene-1,3-diamine
CID 63725269
4-(3-ethoxy-4-methoxyanilino)cyclohexan-1-ol
CID 106594039
3-(chloromethyl)-N-(cyclopentylmethyl)-4-ethoxyaniline
CID 65025087
N-(cyclohexylmethyl)-4-methylaniline;2-methoxy-4-methyl-N-(oxan-4-ylmethyl)aniline
CID 153334069

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-methoxy-N-(oxan-4-ylmethyl)aniline?
The IUPAC name of 3-ethoxy-4-methoxy-N-(oxan-4-ylmethyl)aniline (CID 62384517) is 3-ethoxy-4-methoxy-N-(oxan-4-ylmethyl)aniline.
What is the SMILES notation for 3-ethoxy-4-methoxy-N-(oxan-4-ylmethyl)aniline?
The canonical SMILES for 3-ethoxy-4-methoxy-N-(oxan-4-ylmethyl)aniline is CCOc1cc(NCC2CCOCC2)ccc1OC.
What is the InChIKey of 3-ethoxy-4-methoxy-N-(oxan-4-ylmethyl)aniline?
The InChIKey is FGQJDISEOFSLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-3-19-15-10-13(4-5-14(15)17-2)16-11-12-6-8-18-9-7-12/h4-5,10,12,16H,3,6-9,11H2,1-2H3.
What are the key properties of 3-ethoxy-4-methoxy-N-(oxan-4-ylmethyl)aniline?
3-ethoxy-4-methoxy-N-(oxan-4-ylmethyl)aniline has a molecular weight of 265.35 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-methoxy-N-(oxan-4-ylmethyl)aniline is sourced from PubChem (CID 62384517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).