2-(aminomethyl)-4-fluoro-N-methyl-N-propylaniline

C11H17FN2 — CID 43313967

IUPAC2-(aminomethyl)-4-fluoro-N-methyl-N-propylaniline
SMILESCCCN(C)c1ccc(F)cc1CN
InChIInChI=1S/C11H17FN2/c1-3-6-14(2)11-5-4-10(12)7-9(11)8-13/h4-5,7H,3,6,8,13H2,1-2H3
InChIKeyITEZVYQFZLKANB-UHFFFAOYSA-N
MW196.27 g/mol
LogP2.13
Rot. Bonds4

About 2-(aminomethyl)-4-fluoro-N-methyl-N-propylaniline

2-(aminomethyl)-4-fluoro-N-methyl-N-propylaniline (PubChem CID 43313967) has the molecular formula C11H17FN2 and a molecular weight of 196.27 g/mol. Its IUPAC name is 2-(aminomethyl)-4-fluoro-N-methyl-N-propylaniline.

Molecular Properties

Compound Name2-(aminomethyl)-4-fluoro-N-methyl-N-propylaniline
PubChem CID43313967
Molecular FormulaC11H17FN2
Molecular Weight196.27 g/mol
Exact Mass196.14
IUPAC Name2-(aminomethyl)-4-fluoro-N-methyl-N-propylaniline
SMILESCCCN(C)c1ccc(F)cc1CN
InChIInChI=1S/C11H17FN2/c1-3-6-14(2)11-5-4-10(12)7-9(11)8-13/h4-5,7H,3,6,8,13H2,1-2H3
InChIKeyITEZVYQFZLKANB-UHFFFAOYSA-N
XLogP2.13
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(chloromethyl)-4-fluoro-N-methyl-N-propylaniline
CID 43313548
2-(aminomethyl)-4-fluoro-N-methyl-N-(3-methylbutyl)aniline
CID 61429251
2-(aminomethyl)-N-ethyl-4-fluoro-N-propylaniline
CID 43313949
2-(aminomethyl)-4-fluoro-N-methyl-N-(2-methylbutyl)aniline
CID 43314003
2-(aminomethyl)-N-[(4-chlorophenyl)methyl]-4-fluoro-N-methylaniline
CID 61414753
2-(aminomethyl)-4-fluoro-N-[(3-fluorophenyl)methyl]-N-methylaniline
CID 43313878
2-(aminomethyl)-N-[(2-bromophenyl)methyl]-4-fluoro-N-methylaniline
CID 61416296
2-(aminomethyl)-4-fluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 55012212
N'-[[2-(aminomethyl)-4-fluorophenyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 63289416
2-(2-aminoethyl)-N-ethyl-4-fluoro-N-propylaniline
CID 63783053
2-(aminomethyl)-5-fluoro-N,N-dimethylaniline
CID 117110792
2-(aminomethyl)-N-ethyl-N-(4-fluorophenyl)-4-methylaniline
CID 107926166

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-fluoro-N-methyl-N-propylaniline?
The IUPAC name of 2-(aminomethyl)-4-fluoro-N-methyl-N-propylaniline (CID 43313967) is 2-(aminomethyl)-4-fluoro-N-methyl-N-propylaniline.
What is the SMILES notation for 2-(aminomethyl)-4-fluoro-N-methyl-N-propylaniline?
The canonical SMILES for 2-(aminomethyl)-4-fluoro-N-methyl-N-propylaniline is CCCN(C)c1ccc(F)cc1CN.
What is the InChIKey of 2-(aminomethyl)-4-fluoro-N-methyl-N-propylaniline?
The InChIKey is ITEZVYQFZLKANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2/c1-3-6-14(2)11-5-4-10(12)7-9(11)8-13/h4-5,7H,3,6,8,13H2,1-2H3.
What are the key properties of 2-(aminomethyl)-4-fluoro-N-methyl-N-propylaniline?
2-(aminomethyl)-4-fluoro-N-methyl-N-propylaniline has a molecular weight of 196.27 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-fluoro-N-methyl-N-propylaniline is sourced from PubChem (CID 43313967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).