2-(aminomethyl)-3-fluoro-N-(3-methoxypropyl)-N-methylaniline

C12H19FN2O — CID 79517799

IUPAC2-(aminomethyl)-3-fluoro-N-(3-methoxypropyl)-N-methylaniline
SMILESCOCCCN(C)c1cccc(F)c1CN
InChIInChI=1S/C12H19FN2O/c1-15(7-4-8-16-2)12-6-3-5-11(13)10(12)9-14/h3,5-6H,4,7-9,14H2,1-2H3
InChIKeyZWQFBSJRCJUPLY-UHFFFAOYSA-N
MW226.29 g/mol
LogP1.76
Rot. Bonds6

About 2-(aminomethyl)-3-fluoro-N-(3-methoxypropyl)-N-methylaniline

2-(aminomethyl)-3-fluoro-N-(3-methoxypropyl)-N-methylaniline (PubChem CID 79517799) has the molecular formula C12H19FN2O and a molecular weight of 226.29 g/mol. Its IUPAC name is 2-(aminomethyl)-3-fluoro-N-(3-methoxypropyl)-N-methylaniline.

Molecular Properties

Compound Name2-(aminomethyl)-3-fluoro-N-(3-methoxypropyl)-N-methylaniline
PubChem CID79517799
Molecular FormulaC12H19FN2O
Molecular Weight226.29 g/mol
Exact Mass226.15
IUPAC Name2-(aminomethyl)-3-fluoro-N-(3-methoxypropyl)-N-methylaniline
SMILESCOCCCN(C)c1cccc(F)c1CN
InChIInChI=1S/C12H19FN2O/c1-15(7-4-8-16-2)12-6-3-5-11(13)10(12)9-14/h3,5-6H,4,7-9,14H2,1-2H3
InChIKeyZWQFBSJRCJUPLY-UHFFFAOYSA-N
XLogP1.76
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 51.76
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

2-(aminomethyl)-3-fluoro-N-methyl-N-(3-phenylpropyl)aniline
CID 79515815
N'-(2-fluorophenyl)-N'-(3-methoxypropyl)propane-1,3-diamine
CID 54935456
3-N-(3-methoxypropyl)-3-N,2-dimethylbenzene-1,3-diamine
CID 63062749
2-[3-methoxypropyl(methyl)amino]phenol
CID 134473103
3-fluoro-N-(3-methoxypropyl)-N-methyl-2-[1-(propylamino)ethyl]aniline
CID 63009989
2-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylbutyl)aniline
CID 79515809
2-amino-3-[3-methoxypropyl(methyl)amino]benzoic acid
CID 115545998
2-(aminomethyl)-3-fluoro-N-methyl-N-(pyridin-4-ylmethyl)aniline
CID 79517600
2-(aminomethyl)-N,N-diethyl-3-fluoroaniline
CID 56604751
2-[(1R)-1-aminoethyl]-N-(3-methoxypropyl)-N-methylaniline
CID 78935486
2-amino-3-fluoro-6-[3-methoxypropyl(methyl)amino]benzoic acid
CID 83206917
2-(aminomethyl)-N-(3-methoxypropyl)-N-methylquinolin-4-amine
CID 63377121

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-fluoro-N-(3-methoxypropyl)-N-methylaniline?
The IUPAC name of 2-(aminomethyl)-3-fluoro-N-(3-methoxypropyl)-N-methylaniline (CID 79517799) is 2-(aminomethyl)-3-fluoro-N-(3-methoxypropyl)-N-methylaniline.
What is the SMILES notation for 2-(aminomethyl)-3-fluoro-N-(3-methoxypropyl)-N-methylaniline?
The canonical SMILES for 2-(aminomethyl)-3-fluoro-N-(3-methoxypropyl)-N-methylaniline is COCCCN(C)c1cccc(F)c1CN.
What is the InChIKey of 2-(aminomethyl)-3-fluoro-N-(3-methoxypropyl)-N-methylaniline?
The InChIKey is ZWQFBSJRCJUPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O/c1-15(7-4-8-16-2)12-6-3-5-11(13)10(12)9-14/h3,5-6H,4,7-9,14H2,1-2H3.
What are the key properties of 2-(aminomethyl)-3-fluoro-N-(3-methoxypropyl)-N-methylaniline?
2-(aminomethyl)-3-fluoro-N-(3-methoxypropyl)-N-methylaniline has a molecular weight of 226.29 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-fluoro-N-(3-methoxypropyl)-N-methylaniline is sourced from PubChem (CID 79517799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).