[4-chloro-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]methanamine

C16H16ClNO2 — CID 114322334

IUPAC[4-chloro-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]methanamine
SMILESNCc1ccc(Cl)cc1OCC1Cc2ccccc2O1
InChIInChI=1S/C16H16ClNO2/c17-13-6-5-12(9-18)16(8-13)19-10-14-7-11-3-1-2-4-15(11)20-14/h1-6,8,14H,7,9-10,18H2
InChIKeyWYHSWDYAZVJERA-UHFFFAOYSA-N
MW289.76 g/mol
LogP3.18
Rot. Bonds4

About [4-chloro-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]methanamine

[4-chloro-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]methanamine (PubChem CID 114322334) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is [4-chloro-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[4-chloro-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]methanamine
PubChem CID114322334
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name[4-chloro-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]methanamine
SMILESNCc1ccc(Cl)cc1OCC1Cc2ccccc2O1
InChIInChI=1S/C16H16ClNO2/c17-13-6-5-12(9-18)16(8-13)19-10-14-7-11-3-1-2-4-15(11)20-14/h1-6,8,14H,7,9-10,18H2
InChIKeyWYHSWDYAZVJERA-UHFFFAOYSA-N
XLogP3.18
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-bromo-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]methanamine
CID 66348957
[3-chloro-4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]methanol
CID 66364960
2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzonitrile
CID 66365332
2-chloro-6-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzaldehyde
CID 66364551
2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-5-ethylaniline
CID 66348762
[5-bromo-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]methanol
CID 66364175
4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-3,5-dimethylaniline
CID 66348760
2-[[2-chloro-6-(chloromethyl)phenoxy]methyl]-2,3-dihydro-1-benzofuran
CID 115956547
5-chloro-2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]aniline
CID 66364663
3,5-dichloro-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzaldehyde
CID 66364358
2-(4-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-2-yl)propan-1-amine
CID 79441587
5-fluoro-2-[(2-fluorophenoxy)methyl]-2,3-dihydro-1-benzofuran
CID 66361307

Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]methanamine?
The IUPAC name of [4-chloro-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]methanamine (CID 114322334) is [4-chloro-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]methanamine.
What is the SMILES notation for [4-chloro-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]methanamine?
The canonical SMILES for [4-chloro-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]methanamine is NCc1ccc(Cl)cc1OCC1Cc2ccccc2O1.
What is the InChIKey of [4-chloro-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]methanamine?
The InChIKey is WYHSWDYAZVJERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c17-13-6-5-12(9-18)16(8-13)19-10-14-7-11-3-1-2-4-15(11)20-14/h1-6,8,14H,7,9-10,18H2.
What are the key properties of [4-chloro-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]methanamine?
[4-chloro-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]methanamine has a molecular weight of 289.76 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]methanamine is sourced from PubChem (CID 114322334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).