N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-2-ethoxy-N-methylethanamine

C13H21FN2O — CID 81059786

IUPACN-[[5-(aminomethyl)-2-fluorophenyl]methyl]-2-ethoxy-N-methylethanamine
SMILESCCOCCN(C)Cc1cc(CN)ccc1F
InChIInChI=1S/C13H21FN2O/c1-3-17-7-6-16(2)10-12-8-11(9-15)4-5-13(12)14/h4-5,8H,3,6-7,9-10,15H2,1-2H3
InChIKeyVPGGQOYVHNJLPA-UHFFFAOYSA-N
MW240.32 g/mol
LogP1.75
Rot. Bonds7

About N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-2-ethoxy-N-methylethanamine

N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-2-ethoxy-N-methylethanamine (PubChem CID 81059786) has the molecular formula C13H21FN2O and a molecular weight of 240.32 g/mol. Its IUPAC name is N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-2-ethoxy-N-methylethanamine.

Molecular Properties

Compound NameN-[[5-(aminomethyl)-2-fluorophenyl]methyl]-2-ethoxy-N-methylethanamine
PubChem CID81059786
Molecular FormulaC13H21FN2O
Molecular Weight240.32 g/mol
Exact Mass240.16
IUPAC NameN-[[5-(aminomethyl)-2-fluorophenyl]methyl]-2-ethoxy-N-methylethanamine
SMILESCCOCCN(C)Cc1cc(CN)ccc1F
InChIInChI=1S/C13H21FN2O/c1-3-17-7-6-16(2)10-12-8-11(9-15)4-5-13(12)14/h4-5,8H,3,6-7,9-10,15H2,1-2H3
InChIKeyVPGGQOYVHNJLPA-UHFFFAOYSA-N
XLogP1.75
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-2-methylsulfanylethanamine
CID 112657803
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N-methylpropan-1-amine
CID 43270934
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-2-propan-2-yloxyethanamine
CID 81059488
1-[[5-(aminomethyl)-2-fluorophenyl]methyl-methylamino]-2-methylpropan-2-ol
CID 79382406
N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N,2-dimethylprop-2-en-1-amine
CID 107455650
N-[[4-(aminomethyl)furan-2-yl]methyl]-2-ethoxy-N-methylethanamine
CID 81067939
4-bromo-3-[[2-ethoxyethyl(methyl)amino]methyl]aniline
CID 115297795
1-[2-ethoxyethyl(methyl)amino]-3-(4-fluorophenyl)propan-2-one
CID 81058187
N-[2-[3-(aminomethyl)phenoxy]ethyl]-2-ethoxy-N-methylethanamine
CID 81058976
[3-(aminomethyl)-4-fluorophenyl]methanamine
CID 62072221
2-[[2-ethoxyethyl(methyl)amino]methyl]aniline
CID 43458606
4-[[2-ethoxyethyl(methyl)amino]methyl]-2-methylaniline
CID 81055776

Frequently Asked Questions

What is the IUPAC name of N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-2-ethoxy-N-methylethanamine?
The IUPAC name of N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-2-ethoxy-N-methylethanamine (CID 81059786) is N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-2-ethoxy-N-methylethanamine.
What is the SMILES notation for N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-2-ethoxy-N-methylethanamine?
The canonical SMILES for N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-2-ethoxy-N-methylethanamine is CCOCCN(C)Cc1cc(CN)ccc1F.
What is the InChIKey of N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-2-ethoxy-N-methylethanamine?
The InChIKey is VPGGQOYVHNJLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O/c1-3-17-7-6-16(2)10-12-8-11(9-15)4-5-13(12)14/h4-5,8H,3,6-7,9-10,15H2,1-2H3.
What are the key properties of N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-2-ethoxy-N-methylethanamine?
N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-2-ethoxy-N-methylethanamine has a molecular weight of 240.32 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-2-ethoxy-N-methylethanamine is sourced from PubChem (CID 81059786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).