2-[1-(ethylamino)ethyl]-4-fluoro-N-methyl-N-(oxan-4-ylmethyl)aniline

C17H27FN2O — CID 63711350

IUPAC2-[1-(ethylamino)ethyl]-4-fluoro-N-methyl-N-(oxan-4-ylmethyl)aniline
SMILESCCNC(C)c1cc(F)ccc1N(C)CC1CCOCC1
InChIInChI=1S/C17H27FN2O/c1-4-19-13(2)16-11-15(18)5-6-17(16)20(3)12-14-7-9-21-10-8-14/h5-6,11,13-14,19H,4,7-10,12H2,1-3H3
InChIKeyRODIDPPEOACZGU-UHFFFAOYSA-N
MW294.41 g/mol
LogP3.36
Rot. Bonds6

About 2-[1-(ethylamino)ethyl]-4-fluoro-N-methyl-N-(oxan-4-ylmethyl)aniline

2-[1-(ethylamino)ethyl]-4-fluoro-N-methyl-N-(oxan-4-ylmethyl)aniline (PubChem CID 63711350) has the molecular formula C17H27FN2O and a molecular weight of 294.41 g/mol. Its IUPAC name is 2-[1-(ethylamino)ethyl]-4-fluoro-N-methyl-N-(oxan-4-ylmethyl)aniline.

Molecular Properties

Compound Name2-[1-(ethylamino)ethyl]-4-fluoro-N-methyl-N-(oxan-4-ylmethyl)aniline
PubChem CID63711350
Molecular FormulaC17H27FN2O
Molecular Weight294.41 g/mol
Exact Mass294.21
IUPAC Name2-[1-(ethylamino)ethyl]-4-fluoro-N-methyl-N-(oxan-4-ylmethyl)aniline
SMILESCCNC(C)c1cc(F)ccc1N(C)CC1CCOCC1
InChIInChI=1S/C17H27FN2O/c1-4-19-13(2)16-11-15(18)5-6-17(16)20(3)12-14-7-9-21-10-8-14/h5-6,11,13-14,19H,4,7-10,12H2,1-3H3
InChIKeyRODIDPPEOACZGU-UHFFFAOYSA-N
XLogP3.36
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(ethylamino)ethyl]-4-fluoro-N-methyl-N-(oxan-3-ylmethyl)aniline
CID 63711528
4-bromo-N-methyl-2-[1-(methylamino)ethyl]-N-(oxan-4-ylmethyl)aniline
CID 82968663
2-[1-(ethylamino)ethyl]-4-fluoro-N-methyl-N-(4-methylcyclohexyl)aniline
CID 63533131
5-fluoro-2-[methyl(oxan-4-ylmethyl)amino]benzonitrile
CID 63707524
N-cyclopentyl-N-ethyl-2-[1-(ethylamino)ethyl]-4-fluoroaniline
CID 43541268
2-[1-(ethylamino)ethyl]-4-fluoro-N-methyl-N-(3-methylbutan-2-yl)aniline
CID 43570195
N-[4-fluoro-2-[1-(methylamino)ethyl]phenyl]-N-methyloxan-4-amine
CID 43611306
2-[N-cyclopropyl-2-[1-(ethylamino)ethyl]-4-fluoroanilino]ethanol
CID 54995199
2-[1-(ethylamino)ethyl]-4-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)aniline
CID 112660621
2-[N-cyclobutyl-2-[1-(ethylamino)ethyl]-4-fluoroanilino]ethanol
CID 102863558
2-chloro-N-methyl-N-(oxan-4-ylmethyl)-4-[(propan-2-ylamino)methyl]aniline
CID 81145002
N-[(2,5-difluorophenyl)-(oxan-4-yl)methyl]ethanamine
CID 62907060

Frequently Asked Questions

What is the IUPAC name of 2-[1-(ethylamino)ethyl]-4-fluoro-N-methyl-N-(oxan-4-ylmethyl)aniline?
The IUPAC name of 2-[1-(ethylamino)ethyl]-4-fluoro-N-methyl-N-(oxan-4-ylmethyl)aniline (CID 63711350) is 2-[1-(ethylamino)ethyl]-4-fluoro-N-methyl-N-(oxan-4-ylmethyl)aniline.
What is the SMILES notation for 2-[1-(ethylamino)ethyl]-4-fluoro-N-methyl-N-(oxan-4-ylmethyl)aniline?
The canonical SMILES for 2-[1-(ethylamino)ethyl]-4-fluoro-N-methyl-N-(oxan-4-ylmethyl)aniline is CCNC(C)c1cc(F)ccc1N(C)CC1CCOCC1.
What is the InChIKey of 2-[1-(ethylamino)ethyl]-4-fluoro-N-methyl-N-(oxan-4-ylmethyl)aniline?
The InChIKey is RODIDPPEOACZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O/c1-4-19-13(2)16-11-15(18)5-6-17(16)20(3)12-14-7-9-21-10-8-14/h5-6,11,13-14,19H,4,7-10,12H2,1-3H3.
What are the key properties of 2-[1-(ethylamino)ethyl]-4-fluoro-N-methyl-N-(oxan-4-ylmethyl)aniline?
2-[1-(ethylamino)ethyl]-4-fluoro-N-methyl-N-(oxan-4-ylmethyl)aniline has a molecular weight of 294.41 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(ethylamino)ethyl]-4-fluoro-N-methyl-N-(oxan-4-ylmethyl)aniline is sourced from PubChem (CID 63711350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).