4-(aminomethyl)-N-(4-ethylphenyl)-3-fluoro-N-methylaniline

C16H19FN2 — CID 115366816

IUPAC4-(aminomethyl)-N-(4-ethylphenyl)-3-fluoro-N-methylaniline
SMILESCCc1ccc(N(C)c2ccc(CN)c(F)c2)cc1
InChIInChI=1S/C16H19FN2/c1-3-12-4-7-14(8-5-12)19(2)15-9-6-13(11-18)16(17)10-15/h4-10H,3,11,18H2,1-2H3
InChIKeyLUPRQKPTCGYLNG-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.61
Rot. Bonds4

About 4-(aminomethyl)-N-(4-ethylphenyl)-3-fluoro-N-methylaniline

4-(aminomethyl)-N-(4-ethylphenyl)-3-fluoro-N-methylaniline (PubChem CID 115366816) has the molecular formula C16H19FN2 and a molecular weight of 258.34 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(4-ethylphenyl)-3-fluoro-N-methylaniline.

Molecular Properties

Compound Name4-(aminomethyl)-N-(4-ethylphenyl)-3-fluoro-N-methylaniline
PubChem CID115366816
Molecular FormulaC16H19FN2
Molecular Weight258.34 g/mol
Exact Mass258.15
IUPAC Name4-(aminomethyl)-N-(4-ethylphenyl)-3-fluoro-N-methylaniline
SMILESCCc1ccc(N(C)c2ccc(CN)c(F)c2)cc1
InChIInChI=1S/C16H19FN2/c1-3-12-4-7-14(8-5-12)19(2)15-9-6-13(11-18)16(17)10-15/h4-10H,3,11,18H2,1-2H3
InChIKeyLUPRQKPTCGYLNG-UHFFFAOYSA-N
XLogP3.61
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-3-fluoro-N,N-dimethylaniline
CID 83383786
4-(aminomethyl)-N,N-diethyl-3-fluoroaniline
CID 115366634
2-(aminomethyl)-N-(4-ethylphenyl)-N,5-dimethylaniline
CID 62306578
4-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylphenyl)aniline
CID 113295432
2-(aminomethyl)-5-bromo-N-(4-ethylphenyl)-N-methylaniline
CID 55221393
N-[4-(aminomethyl)phenyl]-3-fluoro-4-methoxy-N-methylaniline
CID 117041608
4-(aminomethyl)-N-[(4-bromophenyl)methyl]-3-fluoro-N-methylaniline
CID 115366742
4-(aminomethyl)-3-fluoro-N-methyl-N-(4-methylpentan-2-yl)aniline
CID 113295417
4-N-(4-ethylphenyl)-4-N-methylbenzene-1,4-diamine
CID 62001857
4-(aminomethyl)-N-ethyl-3-fluoro-N-(2-methylpropyl)aniline
CID 115366683
4-(aminomethyl)-N-ethyl-3-fluoro-N-(2,2,2-trifluoroethyl)aniline
CID 113295424
N-[4-(2-aminoethyl)phenyl]-3-fluoro-N-methylaniline
CID 63786695

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(4-ethylphenyl)-3-fluoro-N-methylaniline?
The IUPAC name of 4-(aminomethyl)-N-(4-ethylphenyl)-3-fluoro-N-methylaniline (CID 115366816) is 4-(aminomethyl)-N-(4-ethylphenyl)-3-fluoro-N-methylaniline.
What is the SMILES notation for 4-(aminomethyl)-N-(4-ethylphenyl)-3-fluoro-N-methylaniline?
The canonical SMILES for 4-(aminomethyl)-N-(4-ethylphenyl)-3-fluoro-N-methylaniline is CCc1ccc(N(C)c2ccc(CN)c(F)c2)cc1.
What is the InChIKey of 4-(aminomethyl)-N-(4-ethylphenyl)-3-fluoro-N-methylaniline?
The InChIKey is LUPRQKPTCGYLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2/c1-3-12-4-7-14(8-5-12)19(2)15-9-6-13(11-18)16(17)10-15/h4-10H,3,11,18H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-(4-ethylphenyl)-3-fluoro-N-methylaniline?
4-(aminomethyl)-N-(4-ethylphenyl)-3-fluoro-N-methylaniline has a molecular weight of 258.34 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(4-ethylphenyl)-3-fluoro-N-methylaniline is sourced from PubChem (CID 115366816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).