2-(methoxymethyl)-2,3-dihydro-1-benzofuran-5-amine

C10H13NO2 — CID 70332550

IUPAC2-(methoxymethyl)-2,3-dihydro-1-benzofuran-5-amine
SMILESCOCC1Cc2cc(N)ccc2O1
InChIInChI=1S/C10H13NO2/c1-12-6-9-5-7-4-8(11)2-3-10(7)13-9/h2-4,9H,5-6,11H2,1H3
InChIKeyPTVWKQBUIAQTDV-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.22
Rot. Bonds2

About 2-(methoxymethyl)-2,3-dihydro-1-benzofuran-5-amine

2-(methoxymethyl)-2,3-dihydro-1-benzofuran-5-amine (PubChem CID 70332550) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-(methoxymethyl)-2,3-dihydro-1-benzofuran-5-amine.

Molecular Properties

Compound Name2-(methoxymethyl)-2,3-dihydro-1-benzofuran-5-amine
PubChem CID70332550
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name2-(methoxymethyl)-2,3-dihydro-1-benzofuran-5-amine
SMILESCOCC1Cc2cc(N)ccc2O1
InChIInChI=1S/C10H13NO2/c1-12-6-9-5-7-4-8(11)2-3-10(7)13-9/h2-4,9H,5-6,11H2,1H3
InChIKeyPTVWKQBUIAQTDV-UHFFFAOYSA-N
XLogP1.22
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(methoxymethyl)-5-methyl-2,3-dihydro-1-benzofuran
CID 58740913
4-chloro-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]aniline
CID 66362667
1-[2-(methoxymethyl)-2,3-dihydro-1-benzofuran-5-yl]piperazine
CID 20785291
2-methyl-2,3-dihydro-1-benzofuran-5-amine;methyl formate
CID 142030949
1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dihydroindol-5-amine
CID 66362726
methyl 2-(6-amino-3,4-dihydro-2H-chromen-2-yl)acetate;hydrochloride
CID 157401731
4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-3,5-dimethylaniline
CID 66348760
2-(difluoromethoxymethyl)-5-methyl-2,3-dihydro-1-benzofuran
CID 145338313
O-[(6-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]hydroxylamine
CID 117202822
3-methoxy-3,4-dihydro-2H-chromen-6-amine
CID 105438039
2-[2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]ethyl]aniline
CID 102902368
4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]-3-methylaniline
CID 66362969

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-2,3-dihydro-1-benzofuran-5-amine?
The IUPAC name of 2-(methoxymethyl)-2,3-dihydro-1-benzofuran-5-amine (CID 70332550) is 2-(methoxymethyl)-2,3-dihydro-1-benzofuran-5-amine.
What is the SMILES notation for 2-(methoxymethyl)-2,3-dihydro-1-benzofuran-5-amine?
The canonical SMILES for 2-(methoxymethyl)-2,3-dihydro-1-benzofuran-5-amine is COCC1Cc2cc(N)ccc2O1.
What is the InChIKey of 2-(methoxymethyl)-2,3-dihydro-1-benzofuran-5-amine?
The InChIKey is PTVWKQBUIAQTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-12-6-9-5-7-4-8(11)2-3-10(7)13-9/h2-4,9H,5-6,11H2,1H3.
What are the key properties of 2-(methoxymethyl)-2,3-dihydro-1-benzofuran-5-amine?
2-(methoxymethyl)-2,3-dihydro-1-benzofuran-5-amine has a molecular weight of 179.22 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-2,3-dihydro-1-benzofuran-5-amine is sourced from PubChem (CID 70332550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).