[2-[(2-chlorophenoxy)methyl]-1-benzofuran-6-yl]methanamine

C16H14ClNO2 — CID 117179218

IUPAC[2-[(2-chlorophenoxy)methyl]-1-benzofuran-6-yl]methanamine
SMILESNCc1ccc2cc(COc3ccccc3Cl)oc2c1
InChIInChI=1S/C16H14ClNO2/c17-14-3-1-2-4-15(14)19-10-13-8-12-6-5-11(9-18)7-16(12)20-13/h1-8H,9-10,18H2
InChIKeyKLQPGMVBKXZEKN-UHFFFAOYSA-N
MW287.75 g/mol
LogP4.12
Rot. Bonds4

About [2-[(2-chlorophenoxy)methyl]-1-benzofuran-6-yl]methanamine

[2-[(2-chlorophenoxy)methyl]-1-benzofuran-6-yl]methanamine (PubChem CID 117179218) has the molecular formula C16H14ClNO2 and a molecular weight of 287.75 g/mol. Its IUPAC name is [2-[(2-chlorophenoxy)methyl]-1-benzofuran-6-yl]methanamine.

Molecular Properties

Compound Name[2-[(2-chlorophenoxy)methyl]-1-benzofuran-6-yl]methanamine
PubChem CID117179218
Molecular FormulaC16H14ClNO2
Molecular Weight287.75 g/mol
Exact Mass287.07
IUPAC Name[2-[(2-chlorophenoxy)methyl]-1-benzofuran-6-yl]methanamine
SMILESNCc1ccc2cc(COc3ccccc3Cl)oc2c1
InChIInChI=1S/C16H14ClNO2/c17-14-3-1-2-4-15(14)19-10-13-8-12-6-5-11(9-18)7-16(12)20-13/h1-8H,9-10,18H2
InChIKeyKLQPGMVBKXZEKN-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-[(2-chlorophenoxy)methyl]-1,3-benzoxazol-6-yl]methanamine
CID 82357475
[5-[(2-chlorophenoxy)methyl]-2-methylfuran-3-yl]methanamine
CID 62453737
6-chloro-2-[(2-methoxyphenoxy)methyl]-1-benzofuran
CID 117179334
[2-[(2-chlorophenoxy)methyl]-1-methylindol-6-yl]methanamine
CID 117179967
5-[(2-chlorophenoxy)methyl]furan-2-carbonyl chloride
CID 19619567
6-methyl-2-[(2-methylphenoxy)methyl]-1-benzofuran
CID 117185801
6-chloro-2-(phenoxymethyl)-1-benzofuran
CID 117179310
[3-chloro-4-(quinolin-2-ylmethoxy)phenyl]methanamine
CID 61389098
N-[[5-[(2-chlorophenoxy)methyl]-2-methylfuran-3-yl]methyl]propan-1-amine
CID 62452838
2-amino-4-[(2-chlorophenoxy)methyl]phenol
CID 117221784
1-(1-benzofuran-2-yl)-2-(2-chlorophenoxy)ethanone
CID 7816108
6-chloro-2-[(3-chlorophenoxy)methyl]-1-benzofuran
CID 117179353

Frequently Asked Questions

What is the IUPAC name of [2-[(2-chlorophenoxy)methyl]-1-benzofuran-6-yl]methanamine?
The IUPAC name of [2-[(2-chlorophenoxy)methyl]-1-benzofuran-6-yl]methanamine (CID 117179218) is [2-[(2-chlorophenoxy)methyl]-1-benzofuran-6-yl]methanamine.
What is the SMILES notation for [2-[(2-chlorophenoxy)methyl]-1-benzofuran-6-yl]methanamine?
The canonical SMILES for [2-[(2-chlorophenoxy)methyl]-1-benzofuran-6-yl]methanamine is NCc1ccc2cc(COc3ccccc3Cl)oc2c1.
What is the InChIKey of [2-[(2-chlorophenoxy)methyl]-1-benzofuran-6-yl]methanamine?
The InChIKey is KLQPGMVBKXZEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO2/c17-14-3-1-2-4-15(14)19-10-13-8-12-6-5-11(9-18)7-16(12)20-13/h1-8H,9-10,18H2.
What are the key properties of [2-[(2-chlorophenoxy)methyl]-1-benzofuran-6-yl]methanamine?
[2-[(2-chlorophenoxy)methyl]-1-benzofuran-6-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 [2-[(2-chlorophenoxy)methyl]-1-benzofuran-6-yl]methanamine is sourced from PubChem (CID 117179218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).