1-(1,3-dihydro-2-benzofuran-5-yl)-4-methoxy-N-propylbutan-1-amine

C16H25NO2 — CID 105055041

IUPAC1-(1,3-dihydro-2-benzofuran-5-yl)-4-methoxy-N-propylbutan-1-amine
SMILESCCCNC(CCCOC)c1ccc2c(c1)COC2
InChIInChI=1S/C16H25NO2/c1-3-8-17-16(5-4-9-18-2)13-6-7-14-11-19-12-15(14)10-13/h6-7,10,16-17H,3-5,8-9,11-12H2,1-2H3
InChIKeyJWCUOAWDZTXRDC-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.18
Rot. Bonds8

About 1-(1,3-dihydro-2-benzofuran-5-yl)-4-methoxy-N-propylbutan-1-amine

1-(1,3-dihydro-2-benzofuran-5-yl)-4-methoxy-N-propylbutan-1-amine (PubChem CID 105055041) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(1,3-dihydro-2-benzofuran-5-yl)-4-methoxy-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(1,3-dihydro-2-benzofuran-5-yl)-4-methoxy-N-propylbutan-1-amine
PubChem CID105055041
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-(1,3-dihydro-2-benzofuran-5-yl)-4-methoxy-N-propylbutan-1-amine
SMILESCCCNC(CCCOC)c1ccc2c(c1)COC2
InChIInChI=1S/C16H25NO2/c1-3-8-17-16(5-4-9-18-2)13-6-7-14-11-19-12-15(14)10-13/h6-7,10,16-17H,3-5,8-9,11-12H2,1-2H3
InChIKeyJWCUOAWDZTXRDC-UHFFFAOYSA-N
XLogP3.18
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethylpentan-1-amine
CID 55145401
1-(1,3-dihydro-2-benzofuran-5-yl)-N-propylhex-4-yn-1-amine
CID 105037474
1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethylhexan-1-amine
CID 55145403
1-(4-chloro-3-methylphenyl)-4-methoxy-N-propylbutan-1-amine
CID 105054934
1-(3-chloro-4-fluorophenyl)-4-methoxy-N-propylbutan-1-amine
CID 115608743
4-methoxy-1-(5-methylfuran-3-yl)-N-propylbutan-1-amine
CID 105054890
N-[2-(5-bromothiophen-2-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethyl]propan-1-amine
CID 115841189
N-propyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)hexan-1-amine
CID 43494268
1-(3,4-dimethylphenyl)-4-ethoxy-N-propylbutan-1-amine
CID 105140388
1-(1,3-dihydro-2-benzofuran-5-yl)-2,2-dimethyl-N-propylbutan-1-amine
CID 63021290
1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-propylhexan-1-amine
CID 63506701
1-(1,3-dihydro-2-benzofuran-5-yl)-2-methylsulfonyl-N-propylpropan-1-amine
CID 104518874

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-4-methoxy-N-propylbutan-1-amine?
The IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-4-methoxy-N-propylbutan-1-amine (CID 105055041) is 1-(1,3-dihydro-2-benzofuran-5-yl)-4-methoxy-N-propylbutan-1-amine.
What is the SMILES notation for 1-(1,3-dihydro-2-benzofuran-5-yl)-4-methoxy-N-propylbutan-1-amine?
The canonical SMILES for 1-(1,3-dihydro-2-benzofuran-5-yl)-4-methoxy-N-propylbutan-1-amine is CCCNC(CCCOC)c1ccc2c(c1)COC2.
What is the InChIKey of 1-(1,3-dihydro-2-benzofuran-5-yl)-4-methoxy-N-propylbutan-1-amine?
The InChIKey is JWCUOAWDZTXRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-8-17-16(5-4-9-18-2)13-6-7-14-11-19-12-15(14)10-13/h6-7,10,16-17H,3-5,8-9,11-12H2,1-2H3.
What are the key properties of 1-(1,3-dihydro-2-benzofuran-5-yl)-4-methoxy-N-propylbutan-1-amine?
1-(1,3-dihydro-2-benzofuran-5-yl)-4-methoxy-N-propylbutan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydro-2-benzofuran-5-yl)-4-methoxy-N-propylbutan-1-amine is sourced from PubChem (CID 105055041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).