N,2-dimethyl-1-(5-propoxy-1-benzofuran-2-yl)propan-1-amine

C16H23NO2 — CID 65438476

IUPACN,2-dimethyl-1-(5-propoxy-1-benzofuran-2-yl)propan-1-amine
SMILESCCCOc1ccc2oc(C(NC)C(C)C)cc2c1
InChIInChI=1S/C16H23NO2/c1-5-8-18-13-6-7-14-12(9-13)10-15(19-14)16(17-4)11(2)3/h6-7,9-11,16-17H,5,8H2,1-4H3
InChIKeyZNLNIHJRYDHHRZ-UHFFFAOYSA-N
MW261.36 g/mol
LogP4.14
Rot. Bonds6

About N,2-dimethyl-1-(5-propoxy-1-benzofuran-2-yl)propan-1-amine

N,2-dimethyl-1-(5-propoxy-1-benzofuran-2-yl)propan-1-amine (PubChem CID 65438476) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is N,2-dimethyl-1-(5-propoxy-1-benzofuran-2-yl)propan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-1-(5-propoxy-1-benzofuran-2-yl)propan-1-amine
PubChem CID65438476
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC NameN,2-dimethyl-1-(5-propoxy-1-benzofuran-2-yl)propan-1-amine
SMILESCCCOc1ccc2oc(C(NC)C(C)C)cc2c1
InChIInChI=1S/C16H23NO2/c1-5-8-18-13-6-7-14-12(9-13)10-15(19-14)16(17-4)11(2)3/h6-7,9-11,16-17H,5,8H2,1-4H3
InChIKeyZNLNIHJRYDHHRZ-UHFFFAOYSA-N
XLogP4.14
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-1-(5-propoxy-1-benzofuran-2-yl)propan-1-amine?
The IUPAC name of N,2-dimethyl-1-(5-propoxy-1-benzofuran-2-yl)propan-1-amine (CID 65438476) is N,2-dimethyl-1-(5-propoxy-1-benzofuran-2-yl)propan-1-amine.
What is the SMILES notation for N,2-dimethyl-1-(5-propoxy-1-benzofuran-2-yl)propan-1-amine?
The canonical SMILES for N,2-dimethyl-1-(5-propoxy-1-benzofuran-2-yl)propan-1-amine is CCCOc1ccc2oc(C(NC)C(C)C)cc2c1.
What is the InChIKey of N,2-dimethyl-1-(5-propoxy-1-benzofuran-2-yl)propan-1-amine?
The InChIKey is ZNLNIHJRYDHHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-5-8-18-13-6-7-14-12(9-13)10-15(19-14)16(17-4)11(2)3/h6-7,9-11,16-17H,5,8H2,1-4H3.
What are the key properties of N,2-dimethyl-1-(5-propoxy-1-benzofuran-2-yl)propan-1-amine?
N,2-dimethyl-1-(5-propoxy-1-benzofuran-2-yl)propan-1-amine has a molecular weight of 261.36 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-1-(5-propoxy-1-benzofuran-2-yl)propan-1-amine is sourced from PubChem (CID 65438476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).