1-(3-cyclopropyl-7-propoxy-1-benzofuran-2-yl)-N-methylmethanamine

C16H21NO2 — CID 114376817

IUPAC1-(3-cyclopropyl-7-propoxy-1-benzofuran-2-yl)-N-methylmethanamine
SMILESCCCOc1cccc2c(C3CC3)c(CNC)oc12
InChIInChI=1S/C16H21NO2/c1-3-9-18-13-6-4-5-12-15(11-7-8-11)14(10-17-2)19-16(12)13/h4-6,11,17H,3,7-10H2,1-2H3
InChIKeyJYNJKIVJYCCIFB-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.82
Rot. Bonds6

About 1-(3-cyclopropyl-7-propoxy-1-benzofuran-2-yl)-N-methylmethanamine

1-(3-cyclopropyl-7-propoxy-1-benzofuran-2-yl)-N-methylmethanamine (PubChem CID 114376817) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-(3-cyclopropyl-7-propoxy-1-benzofuran-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-cyclopropyl-7-propoxy-1-benzofuran-2-yl)-N-methylmethanamine
PubChem CID114376817
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name1-(3-cyclopropyl-7-propoxy-1-benzofuran-2-yl)-N-methylmethanamine
SMILESCCCOc1cccc2c(C3CC3)c(CNC)oc12
InChIInChI=1S/C16H21NO2/c1-3-9-18-13-6-4-5-12-15(11-7-8-11)14(10-17-2)19-16(12)13/h4-6,11,17H,3,7-10H2,1-2H3
InChIKeyJYNJKIVJYCCIFB-UHFFFAOYSA-N
XLogP3.82
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7-ethoxy-3-ethyl-1-benzofuran-2-yl)-N-methylmethanamine
CID 104842971
N-[(3-ethyl-7-propoxy-1-benzofuran-2-yl)methyl]ethanamine
CID 104843048
N-[(3-cyclopropyl-7-ethyl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 114376967
N-[(3-tert-butyl-7-propoxy-1-benzofuran-2-yl)methyl]ethanamine
CID 114376824
N-[(3-propan-2-yl-7-propoxy-1-benzofuran-2-yl)methyl]propan-1-amine
CID 114376818
N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-8-propoxyquinolin-4-amine
CID 131963511
N-[1-(3-methyl-7-propoxy-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 61281326
N-[(3-ethyl-7-methoxy-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine
CID 104842810
1-[7-methoxy-3-(2-methylpropyl)-1-benzofuran-2-yl]-N-methylmethanamine
CID 114375073
1-(3,7-diethyl-1-benzofuran-2-yl)-N-methylmethanamine
CID 104843083
1-(3-ethoxy-2-propoxyphenyl)-N-methylmethanamine
CID 43213948
1-(3-cyclopropyl-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-N-methylmethanamine
CID 114377164

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyl-7-propoxy-1-benzofuran-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(3-cyclopropyl-7-propoxy-1-benzofuran-2-yl)-N-methylmethanamine (CID 114376817) is 1-(3-cyclopropyl-7-propoxy-1-benzofuran-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-cyclopropyl-7-propoxy-1-benzofuran-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3-cyclopropyl-7-propoxy-1-benzofuran-2-yl)-N-methylmethanamine is CCCOc1cccc2c(C3CC3)c(CNC)oc12.
What is the InChIKey of 1-(3-cyclopropyl-7-propoxy-1-benzofuran-2-yl)-N-methylmethanamine?
The InChIKey is JYNJKIVJYCCIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-3-9-18-13-6-4-5-12-15(11-7-8-11)14(10-17-2)19-16(12)13/h4-6,11,17H,3,7-10H2,1-2H3.
What are the key properties of 1-(3-cyclopropyl-7-propoxy-1-benzofuran-2-yl)-N-methylmethanamine?
1-(3-cyclopropyl-7-propoxy-1-benzofuran-2-yl)-N-methylmethanamine has a molecular weight of 259.35 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyl-7-propoxy-1-benzofuran-2-yl)-N-methylmethanamine is sourced from PubChem (CID 114376817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).