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

C15H15ClN2O — CID 62233370

IUPAC4-chloro-1-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzene-1,2-diamine
SMILESNc1cc(Cl)ccc1NCC1Cc2ccccc2O1
InChIInChI=1S/C15H15ClN2O/c16-11-5-6-14(13(17)8-11)18-9-12-7-10-3-1-2-4-15(10)19-12/h1-6,8,12,18H,7,9,17H2
InChIKeyOLFIUKZMJCAQSI-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.34
Rot. Bonds3

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

4-chloro-1-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzene-1,2-diamine (PubChem CID 62233370) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 4-chloro-1-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-chloro-1-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzene-1,2-diamine
PubChem CID62233370
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name4-chloro-1-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzene-1,2-diamine
SMILESNc1cc(Cl)ccc1NCC1Cc2ccccc2O1
InChIInChI=1S/C15H15ClN2O/c16-11-5-6-14(13(17)8-11)18-9-12-7-10-3-1-2-4-15(10)19-12/h1-6,8,12,18H,7,9,17H2
InChIKeyOLFIUKZMJCAQSI-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

2-chloro-1-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzene-1,4-diamine
CID 62232831
2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-fluoro-5-iodobenzene-1,2-diamine
CID 66101876
6-chloro-4-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrimidine-2,4-diamine
CID 32877213
N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylaniline
CID 66393539
2-amino-5-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide
CID 61140365
4-chloro-N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-iodoaniline
CID 107635356
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
2-(chloromethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline
CID 66365211
4-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-3-fluorobenzonitrile
CID 61003812
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline
CID 54888631
4-bromo-2,6-dichloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline
CID 66348775

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzene-1,2-diamine?
The IUPAC name of 4-chloro-1-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzene-1,2-diamine (CID 62233370) is 4-chloro-1-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzene-1,2-diamine.
What is the SMILES notation for 4-chloro-1-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzene-1,2-diamine?
The canonical SMILES for 4-chloro-1-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzene-1,2-diamine is Nc1cc(Cl)ccc1NCC1Cc2ccccc2O1.
What is the InChIKey of 4-chloro-1-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzene-1,2-diamine?
The InChIKey is OLFIUKZMJCAQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c16-11-5-6-14(13(17)8-11)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 4-chloro-1-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzene-1,2-diamine?
4-chloro-1-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzene-1,2-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 4-chloro-1-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzene-1,2-diamine is sourced from PubChem (CID 62233370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).