[5-(2,3-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine

C17H19NO3 — CID 104703426

IUPAC[5-(2,3-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine
SMILESCOc1cccc(-c2cc(CN)c3c(c2)CCO3)c1OC
InChIInChI=1S/C17H19NO3/c1-19-15-5-3-4-14(17(15)20-2)12-8-11-6-7-21-16(11)13(9-12)10-18/h3-5,8-9H,6-7,10,18H2,1-2H3
InChIKeyKSNLNRCOOBKNHV-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.76
Rot. Bonds4

About [5-(2,3-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine

[5-(2,3-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine (PubChem CID 104703426) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is [5-(2,3-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine.

Molecular Properties

Compound Name[5-(2,3-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine
PubChem CID104703426
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name[5-(2,3-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine
SMILESCOc1cccc(-c2cc(CN)c3c(c2)CCO3)c1OC
InChIInChI=1S/C17H19NO3/c1-19-15-5-3-4-14(17(15)20-2)12-8-11-6-7-21-16(11)13(9-12)10-18/h3-5,8-9H,6-7,10,18H2,1-2H3
InChIKeyKSNLNRCOOBKNHV-UHFFFAOYSA-N
XLogP2.76
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(4-methoxy-3-methylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine
CID 104703447
[5-(3,5-dimethylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine
CID 104703299
[5-(2,4,5-trifluorophenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine
CID 104703413
[5-(2,4-difluoro-5-methylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine
CID 104703465
[4-(2,3-dimethoxyphenyl)thiophen-2-yl]methanamine
CID 82793495
[5-(4-propylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine
CID 104703353
[5-(3,4,5-trifluorophenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine
CID 104703330
7-(2,3-dimethoxyphenyl)-4-[(2,5-dimethylphenyl)methyl]-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepine
CID 26275634
[5-[4-(trifluoromethyl)-3-pyridinyl]-2,3-dihydro-1-benzofuran-7-yl]methanamine
CID 102708645
7-(2,3-dimethoxyphenyl)-4-[1-(2-fluorophenyl)propan-2-yl]-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepine
CID 45243378
5-methoxy-2,3-dihydrobenzo[g][1]benzofuran
CID 102108713
[3-(2,3-dimethoxyphenyl)-1,2-oxazol-4-yl]methanamine
CID 82389813

Frequently Asked Questions

What is the IUPAC name of [5-(2,3-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine?
The IUPAC name of [5-(2,3-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine (CID 104703426) is [5-(2,3-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine.
What is the SMILES notation for [5-(2,3-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine?
The canonical SMILES for [5-(2,3-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine is COc1cccc(-c2cc(CN)c3c(c2)CCO3)c1OC.
What is the InChIKey of [5-(2,3-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine?
The InChIKey is KSNLNRCOOBKNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-19-15-5-3-4-14(17(15)20-2)12-8-11-6-7-21-16(11)13(9-12)10-18/h3-5,8-9H,6-7,10,18H2,1-2H3.
What are the key properties of [5-(2,3-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine?
[5-(2,3-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine has a molecular weight of 285.34 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,3-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine is sourced from PubChem (CID 104703426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).