N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,5-difluoroaniline

C15H13F2NO — CID 43804025

IUPACN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,5-difluoroaniline
SMILESFc1ccc(F)c(NCc2ccc3c(c2)CCO3)c1
InChIInChI=1S/C15H13F2NO/c16-12-2-3-13(17)14(8-12)18-9-10-1-4-15-11(7-10)5-6-19-15/h1-4,7-8,18H,5-6,9H2
InChIKeyMGCFTJNBGHRTSN-UHFFFAOYSA-N
MW261.27 g/mol
LogP3.51
Rot. Bonds3

About N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,5-difluoroaniline

N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,5-difluoroaniline (PubChem CID 43804025) has the molecular formula C15H13F2NO and a molecular weight of 261.27 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,5-difluoroaniline.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,5-difluoroaniline
PubChem CID43804025
Molecular FormulaC15H13F2NO
Molecular Weight261.27 g/mol
Exact Mass261.10
IUPAC NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,5-difluoroaniline
SMILESFc1ccc(F)c(NCc2ccc3c(c2)CCO3)c1
InChIInChI=1S/C15H13F2NO/c16-12-2-3-13(17)14(8-12)18-9-10-1-4-15-11(7-10)5-6-19-15/h1-4,7-8,18H,5-6,9H2
InChIKeyMGCFTJNBGHRTSN-UHFFFAOYSA-N
XLogP3.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,5-difluoroaniline with MolForge

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

Launch Full Analysis

Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,5-difluoroaniline
CID 28614019
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-ethoxy-4-fluoroaniline
CID 43804400
1-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-fluorobenzene-1,2-diamine
CID 115127091
N-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 43732631
4-chloro-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-iodoaniline
CID 107631667
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-5-fluoro-2-methylaniline
CID 65431040
1-(2,4-difluorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)ethanamine
CID 43804303
4-chloro-2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)benzonitrile
CID 43804307
3,5-dichloro-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-fluoroaniline
CID 107572629
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2,3,5-trifluoroaniline
CID 65447108
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2,3,4-trifluoroaniline
CID 65430652
2,3-dichloro-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)aniline
CID 43804211

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,5-difluoroaniline?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,5-difluoroaniline (CID 43804025) is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,5-difluoroaniline.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,5-difluoroaniline?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,5-difluoroaniline is Fc1ccc(F)c(NCc2ccc3c(c2)CCO3)c1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,5-difluoroaniline?
The InChIKey is MGCFTJNBGHRTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO/c16-12-2-3-13(17)14(8-12)18-9-10-1-4-15-11(7-10)5-6-19-15/h1-4,7-8,18H,5-6,9H2.
What are the key properties of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,5-difluoroaniline?
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,5-difluoroaniline has a molecular weight of 261.27 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,5-difluoroaniline is sourced from PubChem (CID 43804025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).