3-chloro-1-N-(2,3-dihydro-1-benzofuran-3-yl)benzene-1,2-diamine

C14H13ClN2O — CID 104834591

IUPAC3-chloro-1-N-(2,3-dihydro-1-benzofuran-3-yl)benzene-1,2-diamine
SMILESNc1c(Cl)cccc1NC1COc2ccccc21
InChIInChI=1S/C14H13ClN2O/c15-10-5-3-6-11(14(10)16)17-12-8-18-13-7-2-1-4-9(12)13/h1-7,12,17H,8,16H2
InChIKeyCUOXRZAPRRQGGF-UHFFFAOYSA-N
MW260.72 g/mol
LogP3.47
Rot. Bonds2

About 3-chloro-1-N-(2,3-dihydro-1-benzofuran-3-yl)benzene-1,2-diamine

3-chloro-1-N-(2,3-dihydro-1-benzofuran-3-yl)benzene-1,2-diamine (PubChem CID 104834591) has the molecular formula C14H13ClN2O and a molecular weight of 260.72 g/mol. Its IUPAC name is 3-chloro-1-N-(2,3-dihydro-1-benzofuran-3-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name3-chloro-1-N-(2,3-dihydro-1-benzofuran-3-yl)benzene-1,2-diamine
PubChem CID104834591
Molecular FormulaC14H13ClN2O
Molecular Weight260.72 g/mol
Exact Mass260.07
IUPAC Name3-chloro-1-N-(2,3-dihydro-1-benzofuran-3-yl)benzene-1,2-diamine
SMILESNc1c(Cl)cccc1NC1COc2ccccc21
InChIInChI=1S/C14H13ClN2O/c15-10-5-3-6-11(14(10)16)17-12-8-18-13-7-2-1-4-9(12)13/h1-7,12,17H,8,16H2
InChIKeyCUOXRZAPRRQGGF-UHFFFAOYSA-N
XLogP3.47
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-(2,3-dihydro-1-benzofuran-3-ylamino)benzenesulfonamide
CID 115992767
5-chloro-1-N-(2,3-dihydro-1-benzofuran-3-yl)-6-fluorobenzene-1,2,4-triamine
CID 103553163
2-(2,3-dihydro-1-benzofuran-3-ylamino)-6-fluorobenzonitrile
CID 78983698
N-(2-bromo-3-chlorophenyl)-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 103478175
4-amino-3-(2,3-dihydro-1-benzofuran-3-ylamino)benzenesulfonamide
CID 82898599
3-chloro-1-N-(2-methyloxolan-3-yl)benzene-1,2-diamine
CID 104834789
2,3-dihydro-1-benzofuran-3-ylurea
CID 62065035
5-N-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-thiadiazole-3,5-diamine
CID 66279227
2-chloro-N-(2,3-dihydro-1-benzofuran-3-yl)benzenesulfonamide
CID 110751703
3-chloro-1-N-(oxan-3-yl)benzene-1,2-diamine
CID 104834544
(3S)-N-(3-chloro-2-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 95782971
N-(2,3-dihydro-1-benzofuran-3-yl)-5-methyl-1H-imidazol-2-amine
CID 106574438

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-N-(2,3-dihydro-1-benzofuran-3-yl)benzene-1,2-diamine?
The IUPAC name of 3-chloro-1-N-(2,3-dihydro-1-benzofuran-3-yl)benzene-1,2-diamine (CID 104834591) is 3-chloro-1-N-(2,3-dihydro-1-benzofuran-3-yl)benzene-1,2-diamine.
What is the SMILES notation for 3-chloro-1-N-(2,3-dihydro-1-benzofuran-3-yl)benzene-1,2-diamine?
The canonical SMILES for 3-chloro-1-N-(2,3-dihydro-1-benzofuran-3-yl)benzene-1,2-diamine is Nc1c(Cl)cccc1NC1COc2ccccc21.
What is the InChIKey of 3-chloro-1-N-(2,3-dihydro-1-benzofuran-3-yl)benzene-1,2-diamine?
The InChIKey is CUOXRZAPRRQGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O/c15-10-5-3-6-11(14(10)16)17-12-8-18-13-7-2-1-4-9(12)13/h1-7,12,17H,8,16H2.
What are the key properties of 3-chloro-1-N-(2,3-dihydro-1-benzofuran-3-yl)benzene-1,2-diamine?
3-chloro-1-N-(2,3-dihydro-1-benzofuran-3-yl)benzene-1,2-diamine has a molecular weight of 260.72 g/mol, XLogP of 3.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-N-(2,3-dihydro-1-benzofuran-3-yl)benzene-1,2-diamine is sourced from PubChem (CID 104834591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).