2-(aminomethyl)-N-ethyl-4-fluoro-N-propylaniline

C12H19FN2 — CID 43313949

IUPAC2-(aminomethyl)-N-ethyl-4-fluoro-N-propylaniline
SMILESCCCN(CC)c1ccc(F)cc1CN
InChIInChI=1S/C12H19FN2/c1-3-7-15(4-2)12-6-5-11(13)8-10(12)9-14/h5-6,8H,3-4,7,9,14H2,1-2H3
InChIKeyIHKQLIVZMNXZRK-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.52
Rot. Bonds5

About 2-(aminomethyl)-N-ethyl-4-fluoro-N-propylaniline

2-(aminomethyl)-N-ethyl-4-fluoro-N-propylaniline (PubChem CID 43313949) has the molecular formula C12H19FN2 and a molecular weight of 210.30 g/mol. Its IUPAC name is 2-(aminomethyl)-N-ethyl-4-fluoro-N-propylaniline.

Molecular Properties

Compound Name2-(aminomethyl)-N-ethyl-4-fluoro-N-propylaniline
PubChem CID43313949
Molecular FormulaC12H19FN2
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC Name2-(aminomethyl)-N-ethyl-4-fluoro-N-propylaniline
SMILESCCCN(CC)c1ccc(F)cc1CN
InChIInChI=1S/C12H19FN2/c1-3-7-15(4-2)12-6-5-11(13)8-10(12)9-14/h5-6,8H,3-4,7,9,14H2,1-2H3
InChIKeyIHKQLIVZMNXZRK-UHFFFAOYSA-N
XLogP2.52
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-aminoethyl)-N-ethyl-4-fluoro-N-propylaniline
CID 63783053
2-(aminomethyl)-4-fluoro-N-methyl-N-propylaniline
CID 43313967
1-N-ethyl-4-fluoro-1-N-propylbenzene-1,2-diamine
CID 43268432
1-[2-(aminomethyl)-N-ethyl-4-fluoroanilino]-2-methylpropan-2-ol
CID 79384354
2-[ethyl(propyl)amino]-5-fluorobenzaldehyde
CID 43312974
2-(aminomethyl)-5-bromo-N-ethyl-N-propylaniline
CID 43268985
2-(aminomethyl)-N-ethyl-N-(4-fluorophenyl)-4-methylaniline
CID 107926166
2-(chloromethyl)-4-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)aniline
CID 63567113
2-(aminomethyl)-N-cyclohexyl-N-ethyl-4-fluoroaniline
CID 43313792
2-[2-(aminomethyl)-N-ethyl-4-(trifluoromethyl)anilino]ethanol
CID 54879996
2-(aminomethyl)-4-fluoro-N-methyl-N-(3-methylbutyl)aniline
CID 61429251
N-[[2-(aminomethyl)-4-fluorophenyl]methyl]-N-ethyl-2-methylaniline
CID 63289026

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-ethyl-4-fluoro-N-propylaniline?
The IUPAC name of 2-(aminomethyl)-N-ethyl-4-fluoro-N-propylaniline (CID 43313949) is 2-(aminomethyl)-N-ethyl-4-fluoro-N-propylaniline.
What is the SMILES notation for 2-(aminomethyl)-N-ethyl-4-fluoro-N-propylaniline?
The canonical SMILES for 2-(aminomethyl)-N-ethyl-4-fluoro-N-propylaniline is CCCN(CC)c1ccc(F)cc1CN.
What is the InChIKey of 2-(aminomethyl)-N-ethyl-4-fluoro-N-propylaniline?
The InChIKey is IHKQLIVZMNXZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2/c1-3-7-15(4-2)12-6-5-11(13)8-10(12)9-14/h5-6,8H,3-4,7,9,14H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-ethyl-4-fluoro-N-propylaniline?
2-(aminomethyl)-N-ethyl-4-fluoro-N-propylaniline has a molecular weight of 210.30 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-ethyl-4-fluoro-N-propylaniline is sourced from PubChem (CID 43313949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).