3-(ethylaminomethyl)-5-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)aniline

C15H25FN2O — CID 106532961

IUPAC3-(ethylaminomethyl)-5-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)aniline
SMILESCCNCc1cc(F)cc(N(C)CCOC(C)C)c1
InChIInChI=1S/C15H25FN2O/c1-5-17-11-13-8-14(16)10-15(9-13)18(4)6-7-19-12(2)3/h8-10,12,17H,5-7,11H2,1-4H3
InChIKeyYSARGVQYCKULRK-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.80
Rot. Bonds8

About 3-(ethylaminomethyl)-5-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)aniline

3-(ethylaminomethyl)-5-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)aniline (PubChem CID 106532961) has the molecular formula C15H25FN2O and a molecular weight of 268.38 g/mol. Its IUPAC name is 3-(ethylaminomethyl)-5-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)aniline.

Molecular Properties

Compound Name3-(ethylaminomethyl)-5-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)aniline
PubChem CID106532961
Molecular FormulaC15H25FN2O
Molecular Weight268.38 g/mol
Exact Mass268.20
IUPAC Name3-(ethylaminomethyl)-5-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)aniline
SMILESCCNCc1cc(F)cc(N(C)CCOC(C)C)c1
InChIInChI=1S/C15H25FN2O/c1-5-17-11-13-8-14(16)10-15(9-13)18(4)6-7-19-12(2)3/h8-10,12,17H,5-7,11H2,1-4H3
InChIKeyYSARGVQYCKULRK-UHFFFAOYSA-N
XLogP2.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(ethylaminomethyl)-5-fluoro-N-methyl-N-(4-methylpentan-2-yl)aniline
CID 106532725
3-(ethylaminomethyl)-5-fluoro-N-pentyl-N-propan-2-ylaniline
CID 106532666
3-fluoro-N-methyl-5-(methylaminomethyl)-N-propylaniline
CID 106530783
3-[3-(ethylaminomethyl)-5-fluorophenoxy]-N,N-dimethylpropan-1-amine
CID 114524943
3-(ethylaminomethyl)-5-fluoro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]aniline
CID 106532950
3-(ethylaminomethyl)-5-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)aniline
CID 106532513
3-fluoro-N-methyl-N-(3-methylbutan-2-yl)-5-(propylaminomethyl)aniline
CID 106532265
4-(ethylaminomethyl)-2,6-difluorophenol
CID 79832688
5-(ethylaminomethyl)-N-methyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
CID 114216442
N-[(3-fluoro-5-propan-2-ylsulfanylphenyl)methyl]ethanamine
CID 106534100
N-[3-(ethylaminomethyl)-5-fluorophenyl]-N,2-dimethyloxolan-3-amine
CID 106532973
N-[(3,5-difluoro-4-propan-2-yloxyphenyl)methyl]ethanamine
CID 79892242

Frequently Asked Questions

What is the IUPAC name of 3-(ethylaminomethyl)-5-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)aniline?
The IUPAC name of 3-(ethylaminomethyl)-5-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)aniline (CID 106532961) is 3-(ethylaminomethyl)-5-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)aniline.
What is the SMILES notation for 3-(ethylaminomethyl)-5-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)aniline?
The canonical SMILES for 3-(ethylaminomethyl)-5-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)aniline is CCNCc1cc(F)cc(N(C)CCOC(C)C)c1.
What is the InChIKey of 3-(ethylaminomethyl)-5-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)aniline?
The InChIKey is YSARGVQYCKULRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2O/c1-5-17-11-13-8-14(16)10-15(9-13)18(4)6-7-19-12(2)3/h8-10,12,17H,5-7,11H2,1-4H3.
What are the key properties of 3-(ethylaminomethyl)-5-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)aniline?
3-(ethylaminomethyl)-5-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)aniline has a molecular weight of 268.38 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylaminomethyl)-5-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)aniline is sourced from PubChem (CID 106532961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).