7-chloro-N-methoxy-4-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine

C13H18ClNO2 — CID 83049829

IUPAC7-chloro-N-methoxy-4-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCCC1Oc2c(Cl)ccc(C)c2C1NOC
InChIInChI=1S/C13H18ClNO2/c1-4-5-10-12(15-16-3)11-8(2)6-7-9(14)13(11)17-10/h6-7,10,12,15H,4-5H2,1-3H3
InChIKeyLJURMTDEEHHKDO-UHFFFAOYSA-N
MW255.74 g/mol
LogP3.40
Rot. Bonds4

About 7-chloro-N-methoxy-4-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine

7-chloro-N-methoxy-4-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 83049829) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is 7-chloro-N-methoxy-4-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name7-chloro-N-methoxy-4-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine
PubChem CID83049829
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name7-chloro-N-methoxy-4-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCCC1Oc2c(Cl)ccc(C)c2C1NOC
InChIInChI=1S/C13H18ClNO2/c1-4-5-10-12(15-16-3)11-8(2)6-7-9(14)13(11)17-10/h6-7,10,12,15H,4-5H2,1-3H3
InChIKeyLJURMTDEEHHKDO-UHFFFAOYSA-N
XLogP3.40
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-methoxy-4-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 7-chloro-N-methoxy-4-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine (CID 83049829) is 7-chloro-N-methoxy-4-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 7-chloro-N-methoxy-4-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 7-chloro-N-methoxy-4-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine is CCCC1Oc2c(Cl)ccc(C)c2C1NOC.
What is the InChIKey of 7-chloro-N-methoxy-4-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is LJURMTDEEHHKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-4-5-10-12(15-16-3)11-8(2)6-7-9(14)13(11)17-10/h6-7,10,12,15H,4-5H2,1-3H3.
What are the key properties of 7-chloro-N-methoxy-4-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine?
7-chloro-N-methoxy-4-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 255.74 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-methoxy-4-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 83049829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).