4-(aminomethyl)-N-cyclopropyl-2,6-difluoro-N-propylaniline

C13H18F2N2 — CID 63052124

IUPAC4-(aminomethyl)-N-cyclopropyl-2,6-difluoro-N-propylaniline
SMILESCCCN(c1c(F)cc(CN)cc1F)C1CC1
InChIInChI=1S/C13H18F2N2/c1-2-5-17(10-3-4-10)13-11(14)6-9(8-16)7-12(13)15/h6-7,10H,2-5,8,16H2,1H3
InChIKeyPZEICBFDFWSVMU-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.80
Rot. Bonds5

About 4-(aminomethyl)-N-cyclopropyl-2,6-difluoro-N-propylaniline

4-(aminomethyl)-N-cyclopropyl-2,6-difluoro-N-propylaniline (PubChem CID 63052124) has the molecular formula C13H18F2N2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 4-(aminomethyl)-N-cyclopropyl-2,6-difluoro-N-propylaniline.

Molecular Properties

Compound Name4-(aminomethyl)-N-cyclopropyl-2,6-difluoro-N-propylaniline
PubChem CID63052124
Molecular FormulaC13H18F2N2
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name4-(aminomethyl)-N-cyclopropyl-2,6-difluoro-N-propylaniline
SMILESCCCN(c1c(F)cc(CN)cc1F)C1CC1
InChIInChI=1S/C13H18F2N2/c1-2-5-17(10-3-4-10)13-11(14)6-9(8-16)7-12(13)15/h6-7,10H,2-5,8,16H2,1H3
InChIKeyPZEICBFDFWSVMU-UHFFFAOYSA-N
XLogP2.80
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-aminobutyl)-N-butyl-N-cyclopropyl-2,6-difluoroaniline
CID 63817015
5-(aminomethyl)-N-cyclopropyl-N-propylpyridin-2-amine
CID 43269938
N-cyclopropyl-N-ethyl-2,6-difluoro-4-(propylaminomethyl)aniline
CID 55146589
N-[4-(aminomethyl)phenyl]-N-propylcycloheptanamine
CID 82927051
N-[2-[4-(aminomethyl)-2,6-difluorophenoxy]ethyl]-N-methylcyclopropanamine
CID 102739697
2-(aminomethyl)-N-cyclopropyl-3-fluoro-N-propylaniline
CID 79517972
N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-propylcyclopropanamine
CID 43270092
[4-[cyclopropyl(2-methylpropyl)amino]-3,5-difluorophenyl]methanol
CID 63076878
N-cyclopropyl-4-[(cyclopropylamino)methyl]-N-ethyl-2,6-difluoroaniline
CID 63051957
2-(2-aminoethyl)-N-cyclopropyl-4-fluoro-N-propylaniline
CID 55234833
N-cyclopropyl-N-ethyl-2,6-difluoro-4-[(propan-2-ylamino)methyl]aniline
CID 63051956
[4-[cyclohexyl(ethyl)amino]-3,5-difluorophenyl]methanol
CID 63078093

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-cyclopropyl-2,6-difluoro-N-propylaniline?
The IUPAC name of 4-(aminomethyl)-N-cyclopropyl-2,6-difluoro-N-propylaniline (CID 63052124) is 4-(aminomethyl)-N-cyclopropyl-2,6-difluoro-N-propylaniline.
What is the SMILES notation for 4-(aminomethyl)-N-cyclopropyl-2,6-difluoro-N-propylaniline?
The canonical SMILES for 4-(aminomethyl)-N-cyclopropyl-2,6-difluoro-N-propylaniline is CCCN(c1c(F)cc(CN)cc1F)C1CC1.
What is the InChIKey of 4-(aminomethyl)-N-cyclopropyl-2,6-difluoro-N-propylaniline?
The InChIKey is PZEICBFDFWSVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2/c1-2-5-17(10-3-4-10)13-11(14)6-9(8-16)7-12(13)15/h6-7,10H,2-5,8,16H2,1H3.
What are the key properties of 4-(aminomethyl)-N-cyclopropyl-2,6-difluoro-N-propylaniline?
4-(aminomethyl)-N-cyclopropyl-2,6-difluoro-N-propylaniline has a molecular weight of 240.30 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-cyclopropyl-2,6-difluoro-N-propylaniline is sourced from PubChem (CID 63052124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).