2-chloro-1-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzene-1,4-diamine

C15H15ClN2O — CID 62232831

IUPAC2-chloro-1-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzene-1,4-diamine
SMILESNc1ccc(NCC2Cc3ccccc3O2)c(Cl)c1
InChIInChI=1S/C15H15ClN2O/c16-13-8-11(17)5-6-14(13)18-9-12-7-10-3-1-2-4-15(10)19-12/h1-6,8,12,18H,7,9,17H2
InChIKeyVDCPUKPUNFECBI-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.34
Rot. Bonds3

About 2-chloro-1-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzene-1,4-diamine

2-chloro-1-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzene-1,4-diamine (PubChem CID 62232831) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 2-chloro-1-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-chloro-1-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzene-1,4-diamine
PubChem CID62232831
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name2-chloro-1-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzene-1,4-diamine
SMILESNc1ccc(NCC2Cc3ccccc3O2)c(Cl)c1
InChIInChI=1S/C15H15ClN2O/c16-13-8-11(17)5-6-14(13)18-9-12-7-10-3-1-2-4-15(10)19-12/h1-6,8,12,18H,7,9,17H2
InChIKeyVDCPUKPUNFECBI-UHFFFAOYSA-N
XLogP3.34
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.34
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

4-chloro-1-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzene-1,2-diamine
CID 62233370
4-bromo-2,6-dichloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline
CID 66348775
6-chloro-4-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrimidine-2,4-diamine
CID 32877213
2-(chloromethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline
CID 66365211
2-chloro-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]aniline
CID 66364478
2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-fluoro-5-iodobenzene-1,2-diamine
CID 66101876
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline
CID 54888631
4-amino-3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)benzamide
CID 63356612
4-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-3-fluorobenzenecarbothioamide
CID 62234807
5-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methylaniline
CID 66348972
4-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-3-fluorobenzonitrile
CID 61003812
1-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-N-phenylbenzene-1,4-diamine
CID 110179031

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzene-1,4-diamine?
The IUPAC name of 2-chloro-1-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzene-1,4-diamine (CID 62232831) is 2-chloro-1-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzene-1,4-diamine.
What is the SMILES notation for 2-chloro-1-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzene-1,4-diamine?
The canonical SMILES for 2-chloro-1-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzene-1,4-diamine is Nc1ccc(NCC2Cc3ccccc3O2)c(Cl)c1.
What is the InChIKey of 2-chloro-1-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzene-1,4-diamine?
The InChIKey is VDCPUKPUNFECBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c16-13-8-11(17)5-6-14(13)18-9-12-7-10-3-1-2-4-15(10)19-12/h1-6,8,12,18H,7,9,17H2.
What are the key properties of 2-chloro-1-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzene-1,4-diamine?
2-chloro-1-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzene-1,4-diamine has a molecular weight of 274.75 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzene-1,4-diamine is sourced from PubChem (CID 62232831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).