3-(ethylaminomethyl)-5-fluoro-N-methyl-N-(4-methylpentan-2-yl)aniline

C16H27FN2 — CID 106532725

IUPAC3-(ethylaminomethyl)-5-fluoro-N-methyl-N-(4-methylpentan-2-yl)aniline
SMILESCCNCc1cc(F)cc(N(C)C(C)CC(C)C)c1
InChIInChI=1S/C16H27FN2/c1-6-18-11-14-8-15(17)10-16(9-14)19(5)13(4)7-12(2)3/h8-10,12-13,18H,6-7,11H2,1-5H3
InChIKeyDQTMUMWEQKKQID-UHFFFAOYSA-N
MW266.40 g/mol
LogP3.81
Rot. Bonds7

About 3-(ethylaminomethyl)-5-fluoro-N-methyl-N-(4-methylpentan-2-yl)aniline

3-(ethylaminomethyl)-5-fluoro-N-methyl-N-(4-methylpentan-2-yl)aniline (PubChem CID 106532725) has the molecular formula C16H27FN2 and a molecular weight of 266.40 g/mol. Its IUPAC name is 3-(ethylaminomethyl)-5-fluoro-N-methyl-N-(4-methylpentan-2-yl)aniline.

Molecular Properties

Compound Name3-(ethylaminomethyl)-5-fluoro-N-methyl-N-(4-methylpentan-2-yl)aniline
PubChem CID106532725
Molecular FormulaC16H27FN2
Molecular Weight266.40 g/mol
Exact Mass266.22
IUPAC Name3-(ethylaminomethyl)-5-fluoro-N-methyl-N-(4-methylpentan-2-yl)aniline
SMILESCCNCc1cc(F)cc(N(C)C(C)CC(C)C)c1
InChIInChI=1S/C16H27FN2/c1-6-18-11-14-8-15(17)10-16(9-14)19(5)13(4)7-12(2)3/h8-10,12-13,18H,6-7,11H2,1-5H3
InChIKeyDQTMUMWEQKKQID-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.40
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(ethylaminomethyl)-5-fluoro-N-pentyl-N-propan-2-ylaniline
CID 106532666
3-fluoro-N-methyl-N-(3-methylbutan-2-yl)-5-(propylaminomethyl)aniline
CID 106532265
3-(ethylaminomethyl)-5-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)aniline
CID 106532961
3-fluoro-5-[methyl(4-methylpentan-2-yl)amino]benzaldehyde
CID 106529192
[3-[butan-2-yl(methyl)amino]-5-fluorophenyl]methanol
CID 106529697
N-[(3-fluoro-5-propan-2-ylsulfanylphenyl)methyl]ethanamine
CID 106534100
3-(ethylaminomethyl)-5-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)aniline
CID 106532513
N-[3-(ethylaminomethyl)-5-fluorophenyl]-N,2-dimethyloxolan-3-amine
CID 106532973
4-(ethylaminomethyl)-3-fluoro-N-methyl-N-(4-methylpentan-2-yl)pyridin-2-amine
CID 105389605
3-(aminomethyl)-5-fluoro-N-methyl-N-pentan-2-ylaniline
CID 102813482
N-(cyclobutylmethyl)-N-ethyl-3-(ethylaminomethyl)-5-fluoroaniline
CID 107402449
3-(ethylaminomethyl)-5-fluoro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]aniline
CID 106532950

Frequently Asked Questions

What is the IUPAC name of 3-(ethylaminomethyl)-5-fluoro-N-methyl-N-(4-methylpentan-2-yl)aniline?
The IUPAC name of 3-(ethylaminomethyl)-5-fluoro-N-methyl-N-(4-methylpentan-2-yl)aniline (CID 106532725) is 3-(ethylaminomethyl)-5-fluoro-N-methyl-N-(4-methylpentan-2-yl)aniline.
What is the SMILES notation for 3-(ethylaminomethyl)-5-fluoro-N-methyl-N-(4-methylpentan-2-yl)aniline?
The canonical SMILES for 3-(ethylaminomethyl)-5-fluoro-N-methyl-N-(4-methylpentan-2-yl)aniline is CCNCc1cc(F)cc(N(C)C(C)CC(C)C)c1.
What is the InChIKey of 3-(ethylaminomethyl)-5-fluoro-N-methyl-N-(4-methylpentan-2-yl)aniline?
The InChIKey is DQTMUMWEQKKQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27FN2/c1-6-18-11-14-8-15(17)10-16(9-14)19(5)13(4)7-12(2)3/h8-10,12-13,18H,6-7,11H2,1-5H3.
What are the key properties of 3-(ethylaminomethyl)-5-fluoro-N-methyl-N-(4-methylpentan-2-yl)aniline?
3-(ethylaminomethyl)-5-fluoro-N-methyl-N-(4-methylpentan-2-yl)aniline has a molecular weight of 266.40 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylaminomethyl)-5-fluoro-N-methyl-N-(4-methylpentan-2-yl)aniline is sourced from PubChem (CID 106532725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).