3-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-5-fluoroaniline

C15H25FN2 — CID 102813533

IUPAC3-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-5-fluoroaniline
SMILESCCC(CC)CN(CC)c1cc(F)cc(CN)c1
InChIInChI=1S/C15H25FN2/c1-4-12(5-2)11-18(6-3)15-8-13(10-17)7-14(16)9-15/h7-9,12H,4-6,10-11,17H2,1-3H3
InChIKeyMOOSZNFYCBTZRP-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.55
Rot. Bonds7

About 3-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-5-fluoroaniline

3-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-5-fluoroaniline (PubChem CID 102813533) has the molecular formula C15H25FN2 and a molecular weight of 252.38 g/mol. Its IUPAC name is 3-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-5-fluoroaniline.

Molecular Properties

Compound Name3-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-5-fluoroaniline
PubChem CID102813533
Molecular FormulaC15H25FN2
Molecular Weight252.38 g/mol
Exact Mass252.20
IUPAC Name3-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-5-fluoroaniline
SMILESCCC(CC)CN(CC)c1cc(F)cc(CN)c1
InChIInChI=1S/C15H25FN2/c1-4-12(5-2)11-18(6-3)15-8-13(10-17)7-14(16)9-15/h7-9,12H,4-6,10-11,17H2,1-3H3
InChIKeyMOOSZNFYCBTZRP-UHFFFAOYSA-N
XLogP3.55
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-5-fluoroaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)aniline
CID 43587074
3-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-5-fluoroaniline
CID 102814011
3-(aminomethyl)-N-ethyl-5-fluoro-N-(thiophen-2-ylmethyl)aniline
CID 102813648
3-(aminomethyl)-N-ethyl-5-fluoro-N-(4-fluorophenyl)aniline
CID 102813839
3-(aminomethyl)-5-fluoro-N-methyl-N-pentan-2-ylaniline
CID 102813482
2-[3-(aminomethyl)-N-(2-amino-2-oxoethyl)-5-fluoroanilino]acetamide
CID 102813911
N,N-diethyl-3-fluoro-5-(methylaminomethyl)aniline
CID 106530735
5-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-3-methylpyridin-2-amine
CID 80629781
2-[3-(aminomethyl)-5-fluoro-N-methylanilino]-2-methylpropan-1-ol
CID 102814302
3-(2-aminoethyl)-N-ethyl-5-fluoro-N-(2-methoxyethyl)aniline
CID 106532625
4-[ethyl(2-ethylbutyl)amino]-2-fluorobenzenecarbothioamide
CID 115368029
2-[3-(aminomethyl)-5-fluoro-N-propan-2-ylanilino]ethanol
CID 102813731

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-5-fluoroaniline?
The IUPAC name of 3-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-5-fluoroaniline (CID 102813533) is 3-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-5-fluoroaniline.
What is the SMILES notation for 3-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-5-fluoroaniline?
The canonical SMILES for 3-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-5-fluoroaniline is CCC(CC)CN(CC)c1cc(F)cc(CN)c1.
What is the InChIKey of 3-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-5-fluoroaniline?
The InChIKey is MOOSZNFYCBTZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2/c1-4-12(5-2)11-18(6-3)15-8-13(10-17)7-14(16)9-15/h7-9,12H,4-6,10-11,17H2,1-3H3.
What are the key properties of 3-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-5-fluoroaniline?
3-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-5-fluoroaniline has a molecular weight of 252.38 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-5-fluoroaniline is sourced from PubChem (CID 102813533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).