2-(aminomethyl)-N-cyclopropyl-3-fluoro-N-propylaniline

C13H19FN2 — CID 79517972

IUPAC2-(aminomethyl)-N-cyclopropyl-3-fluoro-N-propylaniline
SMILESCCCN(c1cccc(F)c1CN)C1CC1
InChIInChI=1S/C13H19FN2/c1-2-8-16(10-6-7-10)13-5-3-4-12(14)11(13)9-15/h3-5,10H,2,6-9,15H2,1H3
InChIKeyWXFGZEMORSAYGK-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.66
Rot. Bonds5

About 2-(aminomethyl)-N-cyclopropyl-3-fluoro-N-propylaniline

2-(aminomethyl)-N-cyclopropyl-3-fluoro-N-propylaniline (PubChem CID 79517972) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is 2-(aminomethyl)-N-cyclopropyl-3-fluoro-N-propylaniline.

Molecular Properties

Compound Name2-(aminomethyl)-N-cyclopropyl-3-fluoro-N-propylaniline
PubChem CID79517972
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name2-(aminomethyl)-N-cyclopropyl-3-fluoro-N-propylaniline
SMILESCCCN(c1cccc(F)c1CN)C1CC1
InChIInChI=1S/C13H19FN2/c1-2-8-16(10-6-7-10)13-5-3-4-12(14)11(13)9-15/h3-5,10H,2,6-9,15H2,1H3
InChIKeyWXFGZEMORSAYGK-UHFFFAOYSA-N
XLogP2.66
TPSA29.26 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 ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(aminomethyl)-3-fluorophenyl]-N-methylcycloheptanamine
CID 79516525
2-(2-aminoethyl)-N-cyclopropyl-4-fluoro-N-propylaniline
CID 55234833
2-(aminomethyl)-N,N-diethyl-3-fluoroaniline
CID 56604751
N'-(2-fluorophenyl)-N'-(4-methylcyclohexyl)propane-1,3-diamine
CID 64750042
2-(aminomethyl)-N-benzyl-3-fluoro-N-propylaniline
CID 79517983
4-(aminomethyl)-N-cyclopropyl-2,6-difluoro-N-propylaniline
CID 63052124
1-N-cyclopropyl-3-fluoro-1-N-(3-methylbutyl)benzene-1,2-diamine
CID 78973859
2-(2-aminoethyl)-N-butyl-N-cyclopropyl-6-fluoroaniline
CID 114070011
N-cyclopropyl-2-(ethylaminomethyl)-6-fluoro-N-propylaniline
CID 114068167
2-[azetidin-3-yl(propyl)amino]-6-fluorobenzamide
CID 79523206
2-N-(4-ethylcyclohexyl)-2-N-propylbenzene-1,2-diamine
CID 64748723
4-N-(3-fluoro-2-pyridinyl)-4-N-propylcyclohexane-1,4-diamine
CID 79112187

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-cyclopropyl-3-fluoro-N-propylaniline?
The IUPAC name of 2-(aminomethyl)-N-cyclopropyl-3-fluoro-N-propylaniline (CID 79517972) is 2-(aminomethyl)-N-cyclopropyl-3-fluoro-N-propylaniline.
What is the SMILES notation for 2-(aminomethyl)-N-cyclopropyl-3-fluoro-N-propylaniline?
The canonical SMILES for 2-(aminomethyl)-N-cyclopropyl-3-fluoro-N-propylaniline is CCCN(c1cccc(F)c1CN)C1CC1.
What is the InChIKey of 2-(aminomethyl)-N-cyclopropyl-3-fluoro-N-propylaniline?
The InChIKey is WXFGZEMORSAYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-2-8-16(10-6-7-10)13-5-3-4-12(14)11(13)9-15/h3-5,10H,2,6-9,15H2,1H3.
What are the key properties of 2-(aminomethyl)-N-cyclopropyl-3-fluoro-N-propylaniline?
2-(aminomethyl)-N-cyclopropyl-3-fluoro-N-propylaniline has a molecular weight of 222.31 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-cyclopropyl-3-fluoro-N-propylaniline is sourced from PubChem (CID 79517972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).