N-(1-benzofuran-3-ylmethyl)-2-chloro-6-methylaniline

C16H14ClNO — CID 80703405

IUPACN-(1-benzofuran-3-ylmethyl)-2-chloro-6-methylaniline
SMILESCc1cccc(Cl)c1NCc1coc2ccccc12
InChIInChI=1S/C16H14ClNO/c1-11-5-4-7-14(17)16(11)18-9-12-10-19-15-8-3-2-6-13(12)15/h2-8,10,18H,9H2,1H3
InChIKeyAFVIUMOCTULFFB-UHFFFAOYSA-N
MW271.75 g/mol
LogP5.01
Rot. Bonds3

About N-(1-benzofuran-3-ylmethyl)-2-chloro-6-methylaniline

N-(1-benzofuran-3-ylmethyl)-2-chloro-6-methylaniline (PubChem CID 80703405) has the molecular formula C16H14ClNO and a molecular weight of 271.75 g/mol. Its IUPAC name is N-(1-benzofuran-3-ylmethyl)-2-chloro-6-methylaniline.

Molecular Properties

Compound NameN-(1-benzofuran-3-ylmethyl)-2-chloro-6-methylaniline
PubChem CID80703405
Molecular FormulaC16H14ClNO
Molecular Weight271.75 g/mol
Exact Mass271.08
IUPAC NameN-(1-benzofuran-3-ylmethyl)-2-chloro-6-methylaniline
SMILESCc1cccc(Cl)c1NCc1coc2ccccc12
InChIInChI=1S/C16H14ClNO/c1-11-5-4-7-14(17)16(11)18-9-12-10-19-15-8-3-2-6-13(12)15/h2-8,10,18H,9H2,1H3
InChIKeyAFVIUMOCTULFFB-UHFFFAOYSA-N
XLogP5.01
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.75
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-benzofuran-3-ylmethyl)-3-chloro-2-methylaniline
CID 80701190
N-(1-benzofuran-3-ylmethyl)-1-(2-chlorophenyl)methanamine
CID 78963648
N-(1-benzofuran-3-ylmethyl)-2-chloro-5-methylaniline
CID 107630587
2-chloro-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-6-methylaniline
CID 66254002
N-(1-benzofuran-3-ylmethyl)-2,4,6-trifluoroaniline
CID 80701760
N-(1-benzofuran-3-ylmethyl)-2-chloro-5-fluoroaniline
CID 107527339
N,N'-bis(2-chloro-6-methylphenyl)methanediamine
CID 22450713
1-[(2-chloro-6-methylanilino)methyl]naphthalen-2-ol
CID 66257993
2-chloro-N-[(4-fluoro-2-methylphenyl)methyl]-6-methylaniline
CID 66251464
N-(1-benzofuran-3-ylmethyl)-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine
CID 80700989
N-(1-benzofuran-3-ylmethyl)-2-chloro-5-methoxyaniline
CID 80701310
N-(1-benzofuran-3-ylmethyl)-2-fluoroaniline
CID 80701548

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-3-ylmethyl)-2-chloro-6-methylaniline?
The IUPAC name of N-(1-benzofuran-3-ylmethyl)-2-chloro-6-methylaniline (CID 80703405) is N-(1-benzofuran-3-ylmethyl)-2-chloro-6-methylaniline.
What is the SMILES notation for N-(1-benzofuran-3-ylmethyl)-2-chloro-6-methylaniline?
The canonical SMILES for N-(1-benzofuran-3-ylmethyl)-2-chloro-6-methylaniline is Cc1cccc(Cl)c1NCc1coc2ccccc12.
What is the InChIKey of N-(1-benzofuran-3-ylmethyl)-2-chloro-6-methylaniline?
The InChIKey is AFVIUMOCTULFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO/c1-11-5-4-7-14(17)16(11)18-9-12-10-19-15-8-3-2-6-13(12)15/h2-8,10,18H,9H2,1H3.
What are the key properties of N-(1-benzofuran-3-ylmethyl)-2-chloro-6-methylaniline?
N-(1-benzofuran-3-ylmethyl)-2-chloro-6-methylaniline has a molecular weight of 271.75 g/mol, XLogP of 5.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-3-ylmethyl)-2-chloro-6-methylaniline is sourced from PubChem (CID 80703405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).