N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-ethylbutan-1-amine

C14H23FN2 — CID 114011928

IUPACN-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-ethylbutan-1-amine
SMILESCCCCN(CC)Cc1ccc(F)c(CN)c1
InChIInChI=1S/C14H23FN2/c1-3-5-8-17(4-2)11-12-6-7-14(15)13(9-12)10-16/h6-7,9H,3-5,8,10-11,16H2,1-2H3
InChIKeyVGAFJGOJKGVYLG-UHFFFAOYSA-N
MW238.35 g/mol
LogP2.91
Rot. Bonds7

About N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-ethylbutan-1-amine

N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-ethylbutan-1-amine (PubChem CID 114011928) has the molecular formula C14H23FN2 and a molecular weight of 238.35 g/mol. Its IUPAC name is N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-ethylbutan-1-amine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-ethylbutan-1-amine
PubChem CID114011928
Molecular FormulaC14H23FN2
Molecular Weight238.35 g/mol
Exact Mass238.18
IUPAC NameN-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-ethylbutan-1-amine
SMILESCCCCN(CC)Cc1ccc(F)c(CN)c1
InChIInChI=1S/C14H23FN2/c1-3-5-8-17(4-2)11-12-6-7-14(15)13(9-12)10-16/h6-7,9H,3-5,8,10-11,16H2,1-2H3
InChIKeyVGAFJGOJKGVYLG-UHFFFAOYSA-N
XLogP2.91
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromo-4-fluorophenyl)methyl]-N-ethylbutan-1-amine
CID 55220419
N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-3-methyl-N-(3-methylbutyl)butan-1-amine
CID 107878711
2-[[3-(aminomethyl)-4-fluorophenyl]methyl-propylamino]-N,N-dimethylacetamide
CID 107878275
4-[[butyl(ethyl)amino]methyl]-2,6-difluorophenol
CID 82975285
N'-[(3-bromo-4-fluorophenyl)methyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102996193
N'-ethyl-N'-[(3-fluoro-4-methoxyphenyl)methyl]propane-1,3-diamine
CID 43154838
N-ethyl-N-[(4-fluoro-3-piperazin-1-ylphenyl)methyl]butan-1-amine
CID 84753155
3-[[butyl(ethyl)amino]methyl]-4-fluorobenzohydrazide
CID 107458388
[3-(aminomethyl)-4-fluorophenyl]methanamine
CID 62072221
N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N,2-dimethylbutan-2-amine
CID 107878479
methyl 4-[[butyl(ethyl)amino]methyl]-2-fluorobenzoate
CID 103749211
N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-propan-2-ylpentan-1-amine
CID 55001858

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-ethylbutan-1-amine?
The IUPAC name of N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-ethylbutan-1-amine (CID 114011928) is N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-ethylbutan-1-amine.
What is the SMILES notation for N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-ethylbutan-1-amine?
The canonical SMILES for N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-ethylbutan-1-amine is CCCCN(CC)Cc1ccc(F)c(CN)c1.
What is the InChIKey of N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-ethylbutan-1-amine?
The InChIKey is VGAFJGOJKGVYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2/c1-3-5-8-17(4-2)11-12-6-7-14(15)13(9-12)10-16/h6-7,9H,3-5,8,10-11,16H2,1-2H3.
What are the key properties of N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-ethylbutan-1-amine?
N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-ethylbutan-1-amine has a molecular weight of 238.35 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-ethylbutan-1-amine is sourced from PubChem (CID 114011928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).