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

C14H19NO — CID 43754997

IUPACN-[1-(3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine
SMILESCCCNC(C)c1oc2ccccc2c1C
InChIInChI=1S/C14H19NO/c1-4-9-15-11(3)14-10(2)12-7-5-6-8-13(12)16-14/h5-8,11,15H,4,9H2,1-3H3
InChIKeyRZRMGTSJPADBHW-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.80
Rot. Bonds4

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

N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine (PubChem CID 43754997) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine
PubChem CID43754997
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC NameN-[1-(3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine
SMILESCCCNC(C)c1oc2ccccc2c1C
InChIInChI=1S/C14H19NO/c1-4-9-15-11(3)14-10(2)12-7-5-6-8-13(12)16-14/h5-8,11,15H,4,9H2,1-3H3
InChIKeyRZRMGTSJPADBHW-UHFFFAOYSA-N
XLogP3.80
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(3-methyl-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

2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]-N-propylacetamide
CID 43777777
N-[1-(5-iodo-3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 63398602
N-methyl-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]ethanesulfonamide
CID 102676059
(1S)-N-[2-(1,3-dioxolan-2-yl)ethyl]-1-(3-methyl-1-benzofuran-2-yl)ethanamine
CID 124571843
2-[2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]ethoxy]ethanol
CID 43771437
2,2,2-trifluoro-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]ethanamine
CID 43755050
2-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]prop-2-en-1-amine
CID 104578826
(1S)-1-(3-methyl-1-benzofuran-2-yl)-N-(pyrimidin-5-ylmethyl)ethanamine
CID 99834293
N-[1-(7-iodo-3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 55185952
2-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-methylsulfanylpropan-1-amine
CID 63981303
N-ethyl-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]acetamide
CID 43777697
N-(2-imidazol-1-ylethyl)-1-(3-methyl-1-benzofuran-2-yl)ethanamine
CID 61325314

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine (CID 43754997) is N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine is CCCNC(C)c1oc2ccccc2c1C.
What is the InChIKey of N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine?
The InChIKey is RZRMGTSJPADBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-4-9-15-11(3)14-10(2)12-7-5-6-8-13(12)16-14/h5-8,11,15H,4,9H2,1-3H3.
What are the key properties of N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine?
N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine has a molecular weight of 217.31 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 43754997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).