N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-(2-methoxyethyl)pentan-3-amine

C16H27FN2O — CID 107113299

IUPACN-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-(2-methoxyethyl)pentan-3-amine
SMILESCCC(CC)N(CCOC)Cc1cccc(CN)c1F
InChIInChI=1S/C16H27FN2O/c1-4-15(5-2)19(9-10-20-3)12-14-8-6-7-13(11-18)16(14)17/h6-8,15H,4-5,9-12,18H2,1-3H3
InChIKeyNGENRMNYFBEIDI-UHFFFAOYSA-N
MW282.40 g/mol
LogP2.92
Rot. Bonds9

About N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-(2-methoxyethyl)pentan-3-amine

N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-(2-methoxyethyl)pentan-3-amine (PubChem CID 107113299) has the molecular formula C16H27FN2O and a molecular weight of 282.40 g/mol. Its IUPAC name is N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-(2-methoxyethyl)pentan-3-amine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-(2-methoxyethyl)pentan-3-amine
PubChem CID107113299
Molecular FormulaC16H27FN2O
Molecular Weight282.40 g/mol
Exact Mass282.21
IUPAC NameN-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-(2-methoxyethyl)pentan-3-amine
SMILESCCC(CC)N(CCOC)Cc1cccc(CN)c1F
InChIInChI=1S/C16H27FN2O/c1-4-15(5-2)19(9-10-20-3)12-14-8-6-7-13(11-18)16(14)17/h6-8,15H,4-5,9-12,18H2,1-3H3
InChIKeyNGENRMNYFBEIDI-UHFFFAOYSA-N
XLogP2.92
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.40
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(aminomethyl)phenyl]methyl]-N-(2-methoxyethyl)pentan-3-amine
CID 55004588
N-[2-[2-(aminomethyl)phenyl]ethyl]-N-(2-methoxyethyl)pentan-3-amine
CID 81322203
N'-hydroxy-2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]benzenecarboximidamide
CID 76912160
N-[[4-(aminomethyl)-2-methylphenyl]methyl]-N-(2-methoxyethyl)pentan-3-amine
CID 114478718
methyl 3-[[3-(aminomethyl)-2-fluorophenyl]methyl-(2-methoxyethyl)amino]propanoate
CID 107113550
5-bromo-2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]aniline
CID 79712411
5-fluoro-2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]benzoic acid
CID 63292694
3-[[2-methoxyethyl(pentan-3-yl)amino]methyl]pyridine-2-carboxylic acid
CID 63075429
N-[(2,6-dichloro-3-pyridinyl)methyl]-N-(2-methoxyethyl)pentan-3-amine
CID 106993658
N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N,2-dimethylbutan-1-amine
CID 107113089
N-[[4-(aminomethyl)phenyl]methyl]-N-(2-methoxyethyl)butan-2-amine
CID 55001040
2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-6-methylpyridin-3-ol
CID 82986415

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-(2-methoxyethyl)pentan-3-amine?
The IUPAC name of N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-(2-methoxyethyl)pentan-3-amine (CID 107113299) is N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-(2-methoxyethyl)pentan-3-amine.
What is the SMILES notation for N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-(2-methoxyethyl)pentan-3-amine?
The canonical SMILES for N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-(2-methoxyethyl)pentan-3-amine is CCC(CC)N(CCOC)Cc1cccc(CN)c1F.
What is the InChIKey of N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-(2-methoxyethyl)pentan-3-amine?
The InChIKey is NGENRMNYFBEIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27FN2O/c1-4-15(5-2)19(9-10-20-3)12-14-8-6-7-13(11-18)16(14)17/h6-8,15H,4-5,9-12,18H2,1-3H3.
What are the key properties of N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-(2-methoxyethyl)pentan-3-amine?
N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-(2-methoxyethyl)pentan-3-amine has a molecular weight of 282.40 g/mol, XLogP of 2.92, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-(2-methoxyethyl)pentan-3-amine is sourced from PubChem (CID 107113299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).