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

C16H16ClNO — CID 66365211

IUPAC2-(chloromethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline
SMILESClCc1ccccc1NCC1Cc2ccccc2O1
InChIInChI=1S/C16H16ClNO/c17-10-13-6-1-3-7-15(13)18-11-14-9-12-5-2-4-8-16(12)19-14/h1-8,14,18H,9-11H2
InChIKeyCLBULNNARAHTBD-UHFFFAOYSA-N
MW273.76 g/mol
LogP3.84
Rot. Bonds4

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

2-(chloromethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline (PubChem CID 66365211) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is 2-(chloromethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline.

Molecular Properties

Compound Name2-(chloromethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline
PubChem CID66365211
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC Name2-(chloromethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline
SMILESClCc1ccccc1NCC1Cc2ccccc2O1
InChIInChI=1S/C16H16ClNO/c17-10-13-6-1-3-7-15(13)18-11-14-9-12-5-2-4-8-16(12)19-14/h1-8,14,18H,9-11H2
InChIKeyCLBULNNARAHTBD-UHFFFAOYSA-N
XLogP3.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(chloromethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline
CID 66365408
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline
CID 54888631
2-chloro-1-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzene-1,4-diamine
CID 62232831
1-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-N-phenylbenzene-1,4-diamine
CID 110179031
4-chloro-1-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzene-1,2-diamine
CID 62233370
5-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methylaniline
CID 66348972
2-(2-chloroethyl)-2,3-dihydro-1-benzofuran
CID 141218488
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclopropanamine
CID 43163825
2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-6-fluorobenzoic acid
CID 79517954
N-benzyl-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 19063201
5-(2,3-dihydro-1-benzofuran-2-ylmethylamino)furan-2-carboxylic acid
CID 62233383
3-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrazin-2-amine
CID 62234283

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline?
The IUPAC name of 2-(chloromethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline (CID 66365211) is 2-(chloromethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline.
What is the SMILES notation for 2-(chloromethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline?
The canonical SMILES for 2-(chloromethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline is ClCc1ccccc1NCC1Cc2ccccc2O1.
What is the InChIKey of 2-(chloromethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline?
The InChIKey is CLBULNNARAHTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO/c17-10-13-6-1-3-7-15(13)18-11-14-9-12-5-2-4-8-16(12)19-14/h1-8,14,18H,9-11H2.
What are the key properties of 2-(chloromethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline?
2-(chloromethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline has a molecular weight of 273.76 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline is sourced from PubChem (CID 66365211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).