N'-(3,4-difluorophenyl)-N'-(furan-2-ylmethyl)propane-1,3-diamine

C14H16F2N2O — CID 28771067

IUPACN'-(3,4-difluorophenyl)-N'-(furan-2-ylmethyl)propane-1,3-diamine
SMILESNCCCN(Cc1ccco1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H16F2N2O/c15-13-5-4-11(9-14(13)16)18(7-2-6-17)10-12-3-1-8-19-12/h1,3-5,8-9H,2,6-7,10,17H2
InChIKeyMDCCEPVCUBDOAK-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.91
Rot. Bonds6

About N'-(3,4-difluorophenyl)-N'-(furan-2-ylmethyl)propane-1,3-diamine

N'-(3,4-difluorophenyl)-N'-(furan-2-ylmethyl)propane-1,3-diamine (PubChem CID 28771067) has the molecular formula C14H16F2N2O and a molecular weight of 266.29 g/mol. Its IUPAC name is N'-(3,4-difluorophenyl)-N'-(furan-2-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(3,4-difluorophenyl)-N'-(furan-2-ylmethyl)propane-1,3-diamine
PubChem CID28771067
Molecular FormulaC14H16F2N2O
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC NameN'-(3,4-difluorophenyl)-N'-(furan-2-ylmethyl)propane-1,3-diamine
SMILESNCCCN(Cc1ccco1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H16F2N2O/c15-13-5-4-11(9-14(13)16)18(7-2-6-17)10-12-3-1-8-19-12/h1,3-5,8-9H,2,6-7,10,17H2
InChIKeyMDCCEPVCUBDOAK-UHFFFAOYSA-N
XLogP2.91
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N'-(3,4-difluorophenyl)-N'-(furan-2-ylmethyl)propane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-(3,4-difluorophenyl)-N'-(furan-2-ylmethyl)propane-1,3-diamine?
The IUPAC name of N'-(3,4-difluorophenyl)-N'-(furan-2-ylmethyl)propane-1,3-diamine (CID 28771067) is N'-(3,4-difluorophenyl)-N'-(furan-2-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N'-(3,4-difluorophenyl)-N'-(furan-2-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N'-(3,4-difluorophenyl)-N'-(furan-2-ylmethyl)propane-1,3-diamine is NCCCN(Cc1ccco1)c1ccc(F)c(F)c1.
What is the InChIKey of N'-(3,4-difluorophenyl)-N'-(furan-2-ylmethyl)propane-1,3-diamine?
The InChIKey is MDCCEPVCUBDOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O/c15-13-5-4-11(9-14(13)16)18(7-2-6-17)10-12-3-1-8-19-12/h1,3-5,8-9H,2,6-7,10,17H2.
What are the key properties of N'-(3,4-difluorophenyl)-N'-(furan-2-ylmethyl)propane-1,3-diamine?
N'-(3,4-difluorophenyl)-N'-(furan-2-ylmethyl)propane-1,3-diamine has a molecular weight of 266.29 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-difluorophenyl)-N'-(furan-2-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 28771067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).