N-methoxy-5-(2-methoxyethyl)-2-propyl-2,3-dihydro-1-benzofuran-3-amine

C15H23NO3 — CID 83049127

IUPACN-methoxy-5-(2-methoxyethyl)-2-propyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCCC1Oc2ccc(CCOC)cc2C1NOC
InChIInChI=1S/C15H23NO3/c1-4-5-14-15(16-18-3)12-10-11(8-9-17-2)6-7-13(12)19-14/h6-7,10,14-16H,4-5,8-9H2,1-3H3
InChIKeyJRBHZSPGFIEAQH-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.63
Rot. Bonds7

About N-methoxy-5-(2-methoxyethyl)-2-propyl-2,3-dihydro-1-benzofuran-3-amine

N-methoxy-5-(2-methoxyethyl)-2-propyl-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 83049127) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-methoxy-5-(2-methoxyethyl)-2-propyl-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound NameN-methoxy-5-(2-methoxyethyl)-2-propyl-2,3-dihydro-1-benzofuran-3-amine
PubChem CID83049127
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-methoxy-5-(2-methoxyethyl)-2-propyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCCC1Oc2ccc(CCOC)cc2C1NOC
InChIInChI=1S/C15H23NO3/c1-4-5-14-15(16-18-3)12-10-11(8-9-17-2)6-7-13(12)19-14/h6-7,10,14-16H,4-5,8-9H2,1-3H3
InChIKeyJRBHZSPGFIEAQH-UHFFFAOYSA-N
XLogP2.63
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-Apdb
CID 192601
2,3-Dihydro-1-benzofuran-5-ylmethanamine
CID 2735367
1-(2,3-Dihydrobenzofuran-5-yl)-N-methylpropan-2-amine
CID 112500533
(R)-1-Phenyl-2-o-tolyloxy-ethylamine
CID 25058834
2-(2,4-Dimethylphenoxy)-1-phenylethanamine;hydrochloride
CID 162315023
3-Amino-2,3-dihydrobenzofuran
CID 13778152
2-(2,6-Dimethylphenoxy)-1-phenylethan-1-amine hydrochloride
CID 72157831
(R)-2-(2,6-dimethylphenoxy)-1-phenylethanamine
CID 10377047
2-Benzofuranmethylamine, 2,3-dihydro-5-methyl-, hydrochloride
CID 29839
Benzylamine, 4-(cyclohexyloxy)-alpha,3-dimethyl-
CID 58255
3-Methyl-1-(2-propoxyphenyl)butan-1-amine
CID 72040222
1-(2-Ethoxyphenyl)ethan-1-amine
CID 4019232

Frequently Asked Questions

What is the IUPAC name of N-methoxy-5-(2-methoxyethyl)-2-propyl-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of N-methoxy-5-(2-methoxyethyl)-2-propyl-2,3-dihydro-1-benzofuran-3-amine (CID 83049127) is N-methoxy-5-(2-methoxyethyl)-2-propyl-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for N-methoxy-5-(2-methoxyethyl)-2-propyl-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for N-methoxy-5-(2-methoxyethyl)-2-propyl-2,3-dihydro-1-benzofuran-3-amine is CCCC1Oc2ccc(CCOC)cc2C1NOC.
What is the InChIKey of N-methoxy-5-(2-methoxyethyl)-2-propyl-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is JRBHZSPGFIEAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-5-14-15(16-18-3)12-10-11(8-9-17-2)6-7-13(12)19-14/h6-7,10,14-16H,4-5,8-9H2,1-3H3.
What are the key properties of N-methoxy-5-(2-methoxyethyl)-2-propyl-2,3-dihydro-1-benzofuran-3-amine?
N-methoxy-5-(2-methoxyethyl)-2-propyl-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 265.35 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-5-(2-methoxyethyl)-2-propyl-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 83049127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).