4-(aminomethyl)-N-ethyl-3-fluoro-N-(2-methylpropyl)aniline

C13H21FN2 — CID 115366683

IUPAC4-(aminomethyl)-N-ethyl-3-fluoro-N-(2-methylpropyl)aniline
SMILESCCN(CC(C)C)c1ccc(CN)c(F)c1
InChIInChI=1S/C13H21FN2/c1-4-16(9-10(2)3)12-6-5-11(8-15)13(14)7-12/h5-7,10H,4,8-9,15H2,1-3H3
InChIKeyGANFWHZHGQSPGJ-UHFFFAOYSA-N
MW224.32 g/mol
LogP2.77
Rot. Bonds5

About 4-(aminomethyl)-N-ethyl-3-fluoro-N-(2-methylpropyl)aniline

4-(aminomethyl)-N-ethyl-3-fluoro-N-(2-methylpropyl)aniline (PubChem CID 115366683) has the molecular formula C13H21FN2 and a molecular weight of 224.32 g/mol. Its IUPAC name is 4-(aminomethyl)-N-ethyl-3-fluoro-N-(2-methylpropyl)aniline.

Molecular Properties

Compound Name4-(aminomethyl)-N-ethyl-3-fluoro-N-(2-methylpropyl)aniline
PubChem CID115366683
Molecular FormulaC13H21FN2
Molecular Weight224.32 g/mol
Exact Mass224.17
IUPAC Name4-(aminomethyl)-N-ethyl-3-fluoro-N-(2-methylpropyl)aniline
SMILESCCN(CC(C)C)c1ccc(CN)c(F)c1
InChIInChI=1S/C13H21FN2/c1-4-16(9-10(2)3)12-6-5-11(8-15)13(14)7-12/h5-7,10H,4,8-9,15H2,1-3H3
InChIKeyGANFWHZHGQSPGJ-UHFFFAOYSA-N
XLogP2.77
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-N,N-diethyl-3-fluoroaniline
CID 115366634
4-(aminomethyl)-N-ethyl-3-fluoro-N-(2,2,2-trifluoroethyl)aniline
CID 113295424
4-(aminomethyl)-3-fluoro-N-methyl-N-(4-methylpentan-2-yl)aniline
CID 113295417
2-[4-(aminomethyl)-N-ethyl-3-fluoroanilino]-N-propan-2-ylacetamide
CID 115366775
1-[4-(aminomethyl)-N-ethyl-3-fluoroanilino]-2-methylpropan-2-ol
CID 113295462
4-[ethyl(2-methylpropyl)amino]-2-fluorobenzenecarbothioamide
CID 113295805
4-(aminomethyl)-3-fluoro-N,N-dimethylaniline
CID 83383786
4-(2-aminopropyl)-N-ethyl-3-methyl-N-(2-methylpropyl)aniline
CID 55236601
4-(chloromethyl)-N-ethyl-3-methyl-N-(2-methylpropyl)aniline
CID 63540964
4-(aminomethyl)-N-(4-ethylphenyl)-3-fluoro-N-methylaniline
CID 115366816
N-ethyl-3-methyl-N-(2-methylpropyl)-4-[(propan-2-ylamino)methyl]aniline
CID 62134843
4-(aminomethyl)-3-bromo-N,N-diethylaniline
CID 107274646

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-ethyl-3-fluoro-N-(2-methylpropyl)aniline?
The IUPAC name of 4-(aminomethyl)-N-ethyl-3-fluoro-N-(2-methylpropyl)aniline (CID 115366683) is 4-(aminomethyl)-N-ethyl-3-fluoro-N-(2-methylpropyl)aniline.
What is the SMILES notation for 4-(aminomethyl)-N-ethyl-3-fluoro-N-(2-methylpropyl)aniline?
The canonical SMILES for 4-(aminomethyl)-N-ethyl-3-fluoro-N-(2-methylpropyl)aniline is CCN(CC(C)C)c1ccc(CN)c(F)c1.
What is the InChIKey of 4-(aminomethyl)-N-ethyl-3-fluoro-N-(2-methylpropyl)aniline?
The InChIKey is GANFWHZHGQSPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2/c1-4-16(9-10(2)3)12-6-5-11(8-15)13(14)7-12/h5-7,10H,4,8-9,15H2,1-3H3.
What are the key properties of 4-(aminomethyl)-N-ethyl-3-fluoro-N-(2-methylpropyl)aniline?
4-(aminomethyl)-N-ethyl-3-fluoro-N-(2-methylpropyl)aniline has a molecular weight of 224.32 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-ethyl-3-fluoro-N-(2-methylpropyl)aniline is sourced from PubChem (CID 115366683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).