4-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)-2,6-difluoro-N-methylaniline

C16H22F2N2 — CID 63052625

IUPAC4-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)-2,6-difluoro-N-methylaniline
SMILESCC(C1CC1)N(C)c1c(F)cc(CNC2CC2)cc1F
InChIInChI=1S/C16H22F2N2/c1-10(12-3-4-12)20(2)16-14(17)7-11(8-15(16)18)9-19-13-5-6-13/h7-8,10,12-13,19H,3-6,9H2,1-2H3
InChIKeyGIZXRILIPCWLGD-UHFFFAOYSA-N
MW280.36 g/mol
LogP3.45
Rot. Bonds6

About 4-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)-2,6-difluoro-N-methylaniline

4-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)-2,6-difluoro-N-methylaniline (PubChem CID 63052625) has the molecular formula C16H22F2N2 and a molecular weight of 280.36 g/mol. Its IUPAC name is 4-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)-2,6-difluoro-N-methylaniline.

Molecular Properties

Compound Name4-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)-2,6-difluoro-N-methylaniline
PubChem CID63052625
Molecular FormulaC16H22F2N2
Molecular Weight280.36 g/mol
Exact Mass280.18
IUPAC Name4-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)-2,6-difluoro-N-methylaniline
SMILESCC(C1CC1)N(C)c1c(F)cc(CNC2CC2)cc1F
InChIInChI=1S/C16H22F2N2/c1-10(12-3-4-12)20(2)16-14(17)7-11(8-15(16)18)9-19-13-5-6-13/h7-8,10,12-13,19H,3-6,9H2,1-2H3
InChIKeyGIZXRILIPCWLGD-UHFFFAOYSA-N
XLogP3.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)-2,6-difluoro-N-methylaniline?
The IUPAC name of 4-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)-2,6-difluoro-N-methylaniline (CID 63052625) is 4-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)-2,6-difluoro-N-methylaniline.
What is the SMILES notation for 4-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)-2,6-difluoro-N-methylaniline?
The canonical SMILES for 4-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)-2,6-difluoro-N-methylaniline is CC(C1CC1)N(C)c1c(F)cc(CNC2CC2)cc1F.
What is the InChIKey of 4-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)-2,6-difluoro-N-methylaniline?
The InChIKey is GIZXRILIPCWLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2/c1-10(12-3-4-12)20(2)16-14(17)7-11(8-15(16)18)9-19-13-5-6-13/h7-8,10,12-13,19H,3-6,9H2,1-2H3.
What are the key properties of 4-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)-2,6-difluoro-N-methylaniline?
4-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)-2,6-difluoro-N-methylaniline has a molecular weight of 280.36 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)-2,6-difluoro-N-methylaniline is sourced from PubChem (CID 63052625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).