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

C15H13Cl2NO — CID 43804211

IUPAC2,3-dichloro-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)aniline
SMILESClc1cccc(NCc2ccc3c(c2)CCO3)c1Cl
InChIInChI=1S/C15H13Cl2NO/c16-12-2-1-3-13(15(12)17)18-9-10-4-5-14-11(8-10)6-7-19-14/h1-5,8,18H,6-7,9H2
InChIKeyHCNGMKBEHAHANX-UHFFFAOYSA-N
MW294.18 g/mol
LogP4.54
Rot. Bonds3

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

2,3-dichloro-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)aniline (PubChem CID 43804211) has the molecular formula C15H13Cl2NO and a molecular weight of 294.18 g/mol. Its IUPAC name is 2,3-dichloro-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)aniline.

Molecular Properties

Compound Name2,3-dichloro-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)aniline
PubChem CID43804211
Molecular FormulaC15H13Cl2NO
Molecular Weight294.18 g/mol
Exact Mass293.04
IUPAC Name2,3-dichloro-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)aniline
SMILESClc1cccc(NCc2ccc3c(c2)CCO3)c1Cl
InChIInChI=1S/C15H13Cl2NO/c16-12-2-1-3-13(15(12)17)18-9-10-4-5-14-11(8-10)6-7-19-14/h1-5,8,18H,6-7,9H2
InChIKeyHCNGMKBEHAHANX-UHFFFAOYSA-N
XLogP4.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.18
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dichloro-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]aniline
CID 65431408
1-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-fluorobenzene-1,2-diamine
CID 115127091
4-chloro-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-iodoaniline
CID 107631667
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-propan-2-ylaniline
CID 43804020
3,5-dichloro-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-fluoroaniline
CID 107572629
N-[(2,3-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 43732600
4-chloro-2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)benzonitrile
CID 43804307
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-methyl-3-nitroaniline
CID 43804373
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,5-difluoroaniline
CID 43804025
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-ethynylaniline
CID 43803944
2-bromo-3-chloro-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)aniline
CID 103477918
3-chloro-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-2-fluoroaniline
CID 60868787

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)aniline?
The IUPAC name of 2,3-dichloro-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)aniline (CID 43804211) is 2,3-dichloro-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)aniline.
What is the SMILES notation for 2,3-dichloro-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)aniline?
The canonical SMILES for 2,3-dichloro-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)aniline is Clc1cccc(NCc2ccc3c(c2)CCO3)c1Cl.
What is the InChIKey of 2,3-dichloro-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)aniline?
The InChIKey is HCNGMKBEHAHANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO/c16-12-2-1-3-13(15(12)17)18-9-10-4-5-14-11(8-10)6-7-19-14/h1-5,8,18H,6-7,9H2.
What are the key properties of 2,3-dichloro-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)aniline?
2,3-dichloro-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)aniline has a molecular weight of 294.18 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)aniline is sourced from PubChem (CID 43804211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).