[3-[(3-chlorophenoxy)methyl]-1-benzofuran-7-yl]methanamine

C16H14ClNO2 — CID 117180951

IUPAC[3-[(3-chlorophenoxy)methyl]-1-benzofuran-7-yl]methanamine
SMILESNCc1cccc2c(COc3cccc(Cl)c3)coc12
InChIInChI=1S/C16H14ClNO2/c17-13-4-2-5-14(7-13)19-9-12-10-20-16-11(8-18)3-1-6-15(12)16/h1-7,10H,8-9,18H2
InChIKeyLIRAMSZVPJZRKO-UHFFFAOYSA-N
MW287.75 g/mol
LogP4.12
Rot. Bonds4

About [3-[(3-chlorophenoxy)methyl]-1-benzofuran-7-yl]methanamine

[3-[(3-chlorophenoxy)methyl]-1-benzofuran-7-yl]methanamine (PubChem CID 117180951) has the molecular formula C16H14ClNO2 and a molecular weight of 287.75 g/mol. Its IUPAC name is [3-[(3-chlorophenoxy)methyl]-1-benzofuran-7-yl]methanamine.

Molecular Properties

Compound Name[3-[(3-chlorophenoxy)methyl]-1-benzofuran-7-yl]methanamine
PubChem CID117180951
Molecular FormulaC16H14ClNO2
Molecular Weight287.75 g/mol
Exact Mass287.07
IUPAC Name[3-[(3-chlorophenoxy)methyl]-1-benzofuran-7-yl]methanamine
SMILESNCc1cccc2c(COc3cccc(Cl)c3)coc12
InChIInChI=1S/C16H14ClNO2/c17-13-4-2-5-14(7-13)19-9-12-10-20-16-11(8-18)3-1-6-15(12)16/h1-7,10H,8-9,18H2
InChIKeyLIRAMSZVPJZRKO-UHFFFAOYSA-N
XLogP4.12
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(3-chlorophenoxy)methyl]furan-3-yl]methanamine
CID 62459366
[3-[(2-fluorophenoxy)methyl]-1-benzofuran-7-yl]methanamine
CID 117180945
3-(phenoxymethyl)-1-benzofuran-7-amine
CID 117181023
3-[(4-chlorophenoxy)methyl]-7-methyl-1-benzofuran
CID 117186097
[4-[(3-chlorophenoxy)methyl]-5-methylthiophen-2-yl]methanamine
CID 80729482
7-chloro-3-[(4-fluorophenoxy)methyl]-1-benzofuran
CID 117181095
3-[(3-hydroxyphenoxy)methyl]-1-benzofuran-7-carboxylic acid
CID 117181173
[2-[(3-chlorophenoxy)methyl]-1H-benzimidazol-4-yl]methanamine
CID 104721339
3-[(4-bromophenoxy)methyl]-1-benzofuran-7-amine
CID 117181089
O-[(7-chloro-1-benzofuran-3-yl)methyl]hydroxylamine
CID 117197472
1-[2-[(3-chlorophenoxy)methyl]phenyl]-N-methylmethanamine
CID 62460997
methyl 2-amino-6-[(3-chlorophenoxy)methyl]benzoate
CID 104825327

Frequently Asked Questions

What is the IUPAC name of [3-[(3-chlorophenoxy)methyl]-1-benzofuran-7-yl]methanamine?
The IUPAC name of [3-[(3-chlorophenoxy)methyl]-1-benzofuran-7-yl]methanamine (CID 117180951) is [3-[(3-chlorophenoxy)methyl]-1-benzofuran-7-yl]methanamine.
What is the SMILES notation for [3-[(3-chlorophenoxy)methyl]-1-benzofuran-7-yl]methanamine?
The canonical SMILES for [3-[(3-chlorophenoxy)methyl]-1-benzofuran-7-yl]methanamine is NCc1cccc2c(COc3cccc(Cl)c3)coc12.
What is the InChIKey of [3-[(3-chlorophenoxy)methyl]-1-benzofuran-7-yl]methanamine?
The InChIKey is LIRAMSZVPJZRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO2/c17-13-4-2-5-14(7-13)19-9-12-10-20-16-11(8-18)3-1-6-15(12)16/h1-7,10H,8-9,18H2.
What are the key properties of [3-[(3-chlorophenoxy)methyl]-1-benzofuran-7-yl]methanamine?
[3-[(3-chlorophenoxy)methyl]-1-benzofuran-7-yl]methanamine has a molecular weight of 287.75 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-chlorophenoxy)methyl]-1-benzofuran-7-yl]methanamine is sourced from PubChem (CID 117180951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).