4-(aminomethyl)-N-(1-cyclopropylethyl)-2,3-difluoro-N-methylaniline

C13H18F2N2 — CID 114017570

IUPAC4-(aminomethyl)-N-(1-cyclopropylethyl)-2,3-difluoro-N-methylaniline
SMILESCC(C1CC1)N(C)c1ccc(CN)c(F)c1F
InChIInChI=1S/C13H18F2N2/c1-8(9-3-4-9)17(2)11-6-5-10(7-16)12(14)13(11)15/h5-6,8-9H,3-4,7,16H2,1-2H3
InChIKeyFLZSETDIZBCPHA-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.66
Rot. Bonds4

About 4-(aminomethyl)-N-(1-cyclopropylethyl)-2,3-difluoro-N-methylaniline

4-(aminomethyl)-N-(1-cyclopropylethyl)-2,3-difluoro-N-methylaniline (PubChem CID 114017570) has the molecular formula C13H18F2N2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(1-cyclopropylethyl)-2,3-difluoro-N-methylaniline.

Molecular Properties

Compound Name4-(aminomethyl)-N-(1-cyclopropylethyl)-2,3-difluoro-N-methylaniline
PubChem CID114017570
Molecular FormulaC13H18F2N2
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name4-(aminomethyl)-N-(1-cyclopropylethyl)-2,3-difluoro-N-methylaniline
SMILESCC(C1CC1)N(C)c1ccc(CN)c(F)c1F
InChIInChI=1S/C13H18F2N2/c1-8(9-3-4-9)17(2)11-6-5-10(7-16)12(14)13(11)15/h5-6,8-9H,3-4,7,16H2,1-2H3
InChIKeyFLZSETDIZBCPHA-UHFFFAOYSA-N
XLogP2.66
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(1-cyclopropylethyl)-2,3-difluoro-N-methylaniline?
The IUPAC name of 4-(aminomethyl)-N-(1-cyclopropylethyl)-2,3-difluoro-N-methylaniline (CID 114017570) is 4-(aminomethyl)-N-(1-cyclopropylethyl)-2,3-difluoro-N-methylaniline.
What is the SMILES notation for 4-(aminomethyl)-N-(1-cyclopropylethyl)-2,3-difluoro-N-methylaniline?
The canonical SMILES for 4-(aminomethyl)-N-(1-cyclopropylethyl)-2,3-difluoro-N-methylaniline is CC(C1CC1)N(C)c1ccc(CN)c(F)c1F.
What is the InChIKey of 4-(aminomethyl)-N-(1-cyclopropylethyl)-2,3-difluoro-N-methylaniline?
The InChIKey is FLZSETDIZBCPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2/c1-8(9-3-4-9)17(2)11-6-5-10(7-16)12(14)13(11)15/h5-6,8-9H,3-4,7,16H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-(1-cyclopropylethyl)-2,3-difluoro-N-methylaniline?
4-(aminomethyl)-N-(1-cyclopropylethyl)-2,3-difluoro-N-methylaniline has a molecular weight of 240.30 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(1-cyclopropylethyl)-2,3-difluoro-N-methylaniline is sourced from PubChem (CID 114017570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).