N-[1-(3-methyl-7-propoxy-1-benzofuran-2-yl)ethyl]propan-1-amine

C17H25NO2 — CID 61281326

IUPACN-[1-(3-methyl-7-propoxy-1-benzofuran-2-yl)ethyl]propan-1-amine
SMILESCCCNC(C)c1oc2c(OCCC)cccc2c1C
InChIInChI=1S/C17H25NO2/c1-5-10-18-13(4)16-12(3)14-8-7-9-15(17(14)20-16)19-11-6-2/h7-9,13,18H,5-6,10-11H2,1-4H3
InChIKeyQZQXXMQTGUQYNR-UHFFFAOYSA-N
MW275.39 g/mol
LogP4.59
Rot. Bonds7

About N-[1-(3-methyl-7-propoxy-1-benzofuran-2-yl)ethyl]propan-1-amine

N-[1-(3-methyl-7-propoxy-1-benzofuran-2-yl)ethyl]propan-1-amine (PubChem CID 61281326) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-[1-(3-methyl-7-propoxy-1-benzofuran-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-methyl-7-propoxy-1-benzofuran-2-yl)ethyl]propan-1-amine
PubChem CID61281326
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-[1-(3-methyl-7-propoxy-1-benzofuran-2-yl)ethyl]propan-1-amine
SMILESCCCNC(C)c1oc2c(OCCC)cccc2c1C
InChIInChI=1S/C17H25NO2/c1-5-10-18-13(4)16-12(3)14-8-7-9-15(17(14)20-16)19-11-6-2/h7-9,13,18H,5-6,10-11H2,1-4H3
InChIKeyQZQXXMQTGUQYNR-UHFFFAOYSA-N
XLogP4.59
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(3-methyl-7-propoxy-1-benzofuran-2-yl)ethyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(7-iodo-3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 55185952
N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 43754997
N-[(3-propan-2-yl-7-propoxy-1-benzofuran-2-yl)methyl]propan-1-amine
CID 114376818
N-[1-(2-fluoro-6-propoxyphenyl)ethyl]propan-1-amine
CID 43286026
N-[1-(5-tert-butyl-3,7-dimethyl-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 63398943
N-[1-(5-bromo-3,7-dimethyl-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 63398521
N-[1-(5-iodo-3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 63398602
N-[1-(3,4-dipropoxyphenyl)ethyl]propan-1-amine
CID 43108101
N-[1-(5-bromo-2-propoxyphenyl)ethyl]propan-1-amine
CID 55068348
4-(2-propoxyphenyl)-N-propylbutan-2-amine
CID 104662724
N-[(3-ethyl-7-propoxy-1-benzofuran-2-yl)methyl]ethanamine
CID 104843048
2-[2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]ethoxy]ethanol
CID 43771437

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methyl-7-propoxy-1-benzofuran-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(3-methyl-7-propoxy-1-benzofuran-2-yl)ethyl]propan-1-amine (CID 61281326) is N-[1-(3-methyl-7-propoxy-1-benzofuran-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3-methyl-7-propoxy-1-benzofuran-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(3-methyl-7-propoxy-1-benzofuran-2-yl)ethyl]propan-1-amine is CCCNC(C)c1oc2c(OCCC)cccc2c1C.
What is the InChIKey of N-[1-(3-methyl-7-propoxy-1-benzofuran-2-yl)ethyl]propan-1-amine?
The InChIKey is QZQXXMQTGUQYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-5-10-18-13(4)16-12(3)14-8-7-9-15(17(14)20-16)19-11-6-2/h7-9,13,18H,5-6,10-11H2,1-4H3.
What are the key properties of N-[1-(3-methyl-7-propoxy-1-benzofuran-2-yl)ethyl]propan-1-amine?
N-[1-(3-methyl-7-propoxy-1-benzofuran-2-yl)ethyl]propan-1-amine has a molecular weight of 275.39 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methyl-7-propoxy-1-benzofuran-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 61281326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).