4-(2-aminobutyl)-N-butyl-N-cyclopropyl-2,6-difluoroaniline

C17H26F2N2 — CID 63817015

IUPAC4-(2-aminobutyl)-N-butyl-N-cyclopropyl-2,6-difluoroaniline
SMILESCCCCN(c1c(F)cc(CC(N)CC)cc1F)C1CC1
InChIInChI=1S/C17H26F2N2/c1-3-5-8-21(14-6-7-14)17-15(18)10-12(11-16(17)19)9-13(20)4-2/h10-11,13-14H,3-9,20H2,1-2H3
InChIKeyMBXNXVYPEPOYHY-UHFFFAOYSA-N
MW296.41 g/mol
LogP4.01
Rot. Bonds8

About 4-(2-aminobutyl)-N-butyl-N-cyclopropyl-2,6-difluoroaniline

4-(2-aminobutyl)-N-butyl-N-cyclopropyl-2,6-difluoroaniline (PubChem CID 63817015) has the molecular formula C17H26F2N2 and a molecular weight of 296.41 g/mol. Its IUPAC name is 4-(2-aminobutyl)-N-butyl-N-cyclopropyl-2,6-difluoroaniline.

Molecular Properties

Compound Name4-(2-aminobutyl)-N-butyl-N-cyclopropyl-2,6-difluoroaniline
PubChem CID63817015
Molecular FormulaC17H26F2N2
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name4-(2-aminobutyl)-N-butyl-N-cyclopropyl-2,6-difluoroaniline
SMILESCCCCN(c1c(F)cc(CC(N)CC)cc1F)C1CC1
InChIInChI=1S/C17H26F2N2/c1-3-5-8-21(14-6-7-14)17-15(18)10-12(11-16(17)19)9-13(20)4-2/h10-11,13-14H,3-9,20H2,1-2H3
InChIKeyMBXNXVYPEPOYHY-UHFFFAOYSA-N
XLogP4.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminobutyl)-N-butyl-N-cyclopropyl-2,6-difluoroaniline?
The IUPAC name of 4-(2-aminobutyl)-N-butyl-N-cyclopropyl-2,6-difluoroaniline (CID 63817015) is 4-(2-aminobutyl)-N-butyl-N-cyclopropyl-2,6-difluoroaniline.
What is the SMILES notation for 4-(2-aminobutyl)-N-butyl-N-cyclopropyl-2,6-difluoroaniline?
The canonical SMILES for 4-(2-aminobutyl)-N-butyl-N-cyclopropyl-2,6-difluoroaniline is CCCCN(c1c(F)cc(CC(N)CC)cc1F)C1CC1.
What is the InChIKey of 4-(2-aminobutyl)-N-butyl-N-cyclopropyl-2,6-difluoroaniline?
The InChIKey is MBXNXVYPEPOYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F2N2/c1-3-5-8-21(14-6-7-14)17-15(18)10-12(11-16(17)19)9-13(20)4-2/h10-11,13-14H,3-9,20H2,1-2H3.
What are the key properties of 4-(2-aminobutyl)-N-butyl-N-cyclopropyl-2,6-difluoroaniline?
4-(2-aminobutyl)-N-butyl-N-cyclopropyl-2,6-difluoroaniline has a molecular weight of 296.41 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminobutyl)-N-butyl-N-cyclopropyl-2,6-difluoroaniline is sourced from PubChem (CID 63817015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).