3-[(cyclopropylamino)methyl]-N-ethyl-5-fluoro-N-methylaniline

C13H19FN2 — CID 106532184

IUPAC3-[(cyclopropylamino)methyl]-N-ethyl-5-fluoro-N-methylaniline
SMILESCCN(C)c1cc(F)cc(CNC2CC2)c1
InChIInChI=1S/C13H19FN2/c1-3-16(2)13-7-10(6-11(14)8-13)9-15-12-4-5-12/h6-8,12,15H,3-5,9H2,1-2H3
InChIKeyMJKGZUQHCFVJSA-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.53
Rot. Bonds5

About 3-[(cyclopropylamino)methyl]-N-ethyl-5-fluoro-N-methylaniline

3-[(cyclopropylamino)methyl]-N-ethyl-5-fluoro-N-methylaniline (PubChem CID 106532184) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is 3-[(cyclopropylamino)methyl]-N-ethyl-5-fluoro-N-methylaniline.

Molecular Properties

Compound Name3-[(cyclopropylamino)methyl]-N-ethyl-5-fluoro-N-methylaniline
PubChem CID106532184
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name3-[(cyclopropylamino)methyl]-N-ethyl-5-fluoro-N-methylaniline
SMILESCCN(C)c1cc(F)cc(CNC2CC2)c1
InChIInChI=1S/C13H19FN2/c1-3-16(2)13-7-10(6-11(14)8-13)9-15-12-4-5-12/h6-8,12,15H,3-5,9H2,1-2H3
InChIKeyMJKGZUQHCFVJSA-UHFFFAOYSA-N
XLogP2.53
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(cyclopropylamino)methyl]-5-fluoro-N-methyl-N-(2-methylsulfonylethyl)aniline
CID 106532922
N-butyl-3-[(cyclopropylamino)methyl]-N-ethyl-5-fluoroaniline
CID 106532103
3-[(cyclopropylamino)methyl]-5-fluoro-N-methyl-N-(3-methylbutan-2-yl)aniline
CID 106532266
N-cyclopropyl-3-[(cyclopropylamino)methyl]-5-fluoro-N-propylaniline
CID 106532212
3-[(cyclopropylamino)methyl]-5-fluoro-N,N-bis(2-methylpropyl)aniline
CID 106532492
4-[(cyclopropylamino)methyl]-2,6-difluoro-N,N-dimethylaniline
CID 63051609
N-cyclopropyl-4-[(cyclopropylamino)methyl]-N-ethyl-2,6-difluoroaniline
CID 63051957
N-[(3,5-difluorophenyl)methyl]-1-propylpiperidin-4-amine
CID 115708311
N-[(3,5-difluorophenyl)methyl]piperidin-4-amine
CID 68801078
3-fluoro-N-methyl-5-(methylaminomethyl)-N-propylaniline
CID 106530783
N-[(3-chloro-5-fluorophenyl)methyl]-4-propylcyclohexan-1-amine
CID 114452769
N-[(3-butan-2-ylsulfanyl-5-fluorophenyl)methyl]cyclopropanamine
CID 106533935

Frequently Asked Questions

What is the IUPAC name of 3-[(cyclopropylamino)methyl]-N-ethyl-5-fluoro-N-methylaniline?
The IUPAC name of 3-[(cyclopropylamino)methyl]-N-ethyl-5-fluoro-N-methylaniline (CID 106532184) is 3-[(cyclopropylamino)methyl]-N-ethyl-5-fluoro-N-methylaniline.
What is the SMILES notation for 3-[(cyclopropylamino)methyl]-N-ethyl-5-fluoro-N-methylaniline?
The canonical SMILES for 3-[(cyclopropylamino)methyl]-N-ethyl-5-fluoro-N-methylaniline is CCN(C)c1cc(F)cc(CNC2CC2)c1.
What is the InChIKey of 3-[(cyclopropylamino)methyl]-N-ethyl-5-fluoro-N-methylaniline?
The InChIKey is MJKGZUQHCFVJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-3-16(2)13-7-10(6-11(14)8-13)9-15-12-4-5-12/h6-8,12,15H,3-5,9H2,1-2H3.
What are the key properties of 3-[(cyclopropylamino)methyl]-N-ethyl-5-fluoro-N-methylaniline?
3-[(cyclopropylamino)methyl]-N-ethyl-5-fluoro-N-methylaniline has a molecular weight of 222.31 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(cyclopropylamino)methyl]-N-ethyl-5-fluoro-N-methylaniline is sourced from PubChem (CID 106532184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).