2-[1-(ethylamino)ethyl]-4-fluoro-N,N-bis(2-methoxyethyl)aniline

C16H27FN2O2 — CID 61418293

IUPAC2-[1-(ethylamino)ethyl]-4-fluoro-N,N-bis(2-methoxyethyl)aniline
SMILESCCNC(C)c1cc(F)ccc1N(CCOC)CCOC
InChIInChI=1S/C16H27FN2O2/c1-5-18-13(2)15-12-14(17)6-7-16(15)19(8-10-20-3)9-11-21-4/h6-7,12-13,18H,5,8-11H2,1-4H3
InChIKeyOSKBRTMOUPXFBI-UHFFFAOYSA-N
MW298.40 g/mol
LogP2.60
Rot. Bonds10

About 2-[1-(ethylamino)ethyl]-4-fluoro-N,N-bis(2-methoxyethyl)aniline

2-[1-(ethylamino)ethyl]-4-fluoro-N,N-bis(2-methoxyethyl)aniline (PubChem CID 61418293) has the molecular formula C16H27FN2O2 and a molecular weight of 298.40 g/mol. Its IUPAC name is 2-[1-(ethylamino)ethyl]-4-fluoro-N,N-bis(2-methoxyethyl)aniline.

Molecular Properties

Compound Name2-[1-(ethylamino)ethyl]-4-fluoro-N,N-bis(2-methoxyethyl)aniline
PubChem CID61418293
Molecular FormulaC16H27FN2O2
Molecular Weight298.40 g/mol
Exact Mass298.21
IUPAC Name2-[1-(ethylamino)ethyl]-4-fluoro-N,N-bis(2-methoxyethyl)aniline
SMILESCCNC(C)c1cc(F)ccc1N(CCOC)CCOC
InChIInChI=1S/C16H27FN2O2/c1-5-18-13(2)15-12-14(17)6-7-16(15)19(8-10-20-3)9-11-21-4/h6-7,12-13,18H,5,8-11H2,1-4H3
InChIKeyOSKBRTMOUPXFBI-UHFFFAOYSA-N
XLogP2.60
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.40
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(ethylamino)ethyl]-4-fluoro-N,N-bis(2-methoxyethyl)aniline?
The IUPAC name of 2-[1-(ethylamino)ethyl]-4-fluoro-N,N-bis(2-methoxyethyl)aniline (CID 61418293) is 2-[1-(ethylamino)ethyl]-4-fluoro-N,N-bis(2-methoxyethyl)aniline.
What is the SMILES notation for 2-[1-(ethylamino)ethyl]-4-fluoro-N,N-bis(2-methoxyethyl)aniline?
The canonical SMILES for 2-[1-(ethylamino)ethyl]-4-fluoro-N,N-bis(2-methoxyethyl)aniline is CCNC(C)c1cc(F)ccc1N(CCOC)CCOC.
What is the InChIKey of 2-[1-(ethylamino)ethyl]-4-fluoro-N,N-bis(2-methoxyethyl)aniline?
The InChIKey is OSKBRTMOUPXFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27FN2O2/c1-5-18-13(2)15-12-14(17)6-7-16(15)19(8-10-20-3)9-11-21-4/h6-7,12-13,18H,5,8-11H2,1-4H3.
What are the key properties of 2-[1-(ethylamino)ethyl]-4-fluoro-N,N-bis(2-methoxyethyl)aniline?
2-[1-(ethylamino)ethyl]-4-fluoro-N,N-bis(2-methoxyethyl)aniline has a molecular weight of 298.40 g/mol, XLogP of 2.60, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(ethylamino)ethyl]-4-fluoro-N,N-bis(2-methoxyethyl)aniline is sourced from PubChem (CID 61418293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).