3-fluoro-N-methyl-5-(methylaminomethyl)-N-propylaniline

C12H19FN2 — CID 106530783

IUPAC3-fluoro-N-methyl-5-(methylaminomethyl)-N-propylaniline
SMILESCCCN(C)c1cc(F)cc(CNC)c1
InChIInChI=1S/C12H19FN2/c1-4-5-15(3)12-7-10(9-14-2)6-11(13)8-12/h6-8,14H,4-5,9H2,1-3H3
InChIKeySRQYOOIQOHQBDF-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.39
Rot. Bonds5

About 3-fluoro-N-methyl-5-(methylaminomethyl)-N-propylaniline

3-fluoro-N-methyl-5-(methylaminomethyl)-N-propylaniline (PubChem CID 106530783) has the molecular formula C12H19FN2 and a molecular weight of 210.30 g/mol. Its IUPAC name is 3-fluoro-N-methyl-5-(methylaminomethyl)-N-propylaniline.

Molecular Properties

Compound Name3-fluoro-N-methyl-5-(methylaminomethyl)-N-propylaniline
PubChem CID106530783
Molecular FormulaC12H19FN2
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC Name3-fluoro-N-methyl-5-(methylaminomethyl)-N-propylaniline
SMILESCCCN(C)c1cc(F)cc(CNC)c1
InChIInChI=1S/C12H19FN2/c1-4-5-15(3)12-7-10(9-14-2)6-11(13)8-12/h6-8,14H,4-5,9H2,1-3H3
InChIKeySRQYOOIQOHQBDF-UHFFFAOYSA-N
XLogP2.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-3-fluoro-5-(methylaminomethyl)aniline
CID 106530735
N-methyl-4-(methylaminomethyl)-N-propylaniline
CID 43281892
3-fluoro-N-methyl-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)aniline
CID 106530794
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-fluoro-N-methyl-5-(methylaminomethyl)aniline
CID 106531045
3-fluoro-N-methyl-5-(methylaminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 106531044
3-(ethylaminomethyl)-5-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)aniline
CID 106532961
N-[3-fluoro-5-(methylaminomethyl)phenyl]-N,1-dimethylpiperidin-4-amine
CID 106530752
3-fluoro-N-methyl-5-(methylaminomethyl)-N-(3-methylphenyl)aniline
CID 106530942
3-[3-fluoro-5-(methylaminomethyl)-N-propan-2-ylanilino]propan-1-ol
CID 106530897
2,6-difluoro-4-(methylaminomethyl)-N,N-dipropylaniline
CID 63051923
3-[(cyclopropylamino)methyl]-N-ethyl-5-fluoro-N-methylaniline
CID 106532184
2-[3-fluoro-5-(methylaminomethyl)phenyl]sulfanyl-N,N-dimethylethanamine
CID 106533807

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-5-(methylaminomethyl)-N-propylaniline?
The IUPAC name of 3-fluoro-N-methyl-5-(methylaminomethyl)-N-propylaniline (CID 106530783) is 3-fluoro-N-methyl-5-(methylaminomethyl)-N-propylaniline.
What is the SMILES notation for 3-fluoro-N-methyl-5-(methylaminomethyl)-N-propylaniline?
The canonical SMILES for 3-fluoro-N-methyl-5-(methylaminomethyl)-N-propylaniline is CCCN(C)c1cc(F)cc(CNC)c1.
What is the InChIKey of 3-fluoro-N-methyl-5-(methylaminomethyl)-N-propylaniline?
The InChIKey is SRQYOOIQOHQBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2/c1-4-5-15(3)12-7-10(9-14-2)6-11(13)8-12/h6-8,14H,4-5,9H2,1-3H3.
What are the key properties of 3-fluoro-N-methyl-5-(methylaminomethyl)-N-propylaniline?
3-fluoro-N-methyl-5-(methylaminomethyl)-N-propylaniline has a molecular weight of 210.30 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methyl-5-(methylaminomethyl)-N-propylaniline is sourced from PubChem (CID 106530783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).