N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(3-methylthiophen-2-yl)methyl]propan-1-amine

C18H23NOS — CID 43498094

IUPACN-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc2c(c1)CC(C)O2)c1sccc1C
InChIInChI=1S/C18H23NOS/c1-4-8-19-17(18-12(2)7-9-21-18)14-5-6-16-15(11-14)10-13(3)20-16/h5-7,9,11,13,17,19H,4,8,10H2,1-3H3
InChIKeyHKWBKVORCDSCGY-UHFFFAOYSA-N
MW301.45 g/mol
LogP4.47
Rot. Bonds5

About N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(3-methylthiophen-2-yl)methyl]propan-1-amine

N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(3-methylthiophen-2-yl)methyl]propan-1-amine (PubChem CID 43498094) has the molecular formula C18H23NOS and a molecular weight of 301.45 g/mol. Its IUPAC name is N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(3-methylthiophen-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
PubChem CID43498094
Molecular FormulaC18H23NOS
Molecular Weight301.45 g/mol
Exact Mass301.15
IUPAC NameN-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc2c(c1)CC(C)O2)c1sccc1C
InChIInChI=1S/C18H23NOS/c1-4-8-19-17(18-12(2)7-9-21-18)14-5-6-16-15(11-14)10-13(3)20-16/h5-7,9,11,13,17,19H,4,8,10H2,1-3H3
InChIKeyHKWBKVORCDSCGY-UHFFFAOYSA-N
XLogP4.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.45
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(3-methylthiophen-2-yl)methyl]propan-1-amine with MolForge

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Related Compounds

N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(5-methylfuran-2-yl)methyl]propan-1-amine
CID 43498090
2-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-N-propylbutan-1-amine
CID 43498124
N,N-dimethyl-4-[(3-methylthiophen-2-yl)-(propylamino)methyl]aniline
CID 105166487
5-[chloro-(3-ethylthiophen-2-yl)methyl]-2-methyl-2,3-dihydro-1-benzofuran
CID 79975169
N-[(4-bromo-3,5-dimethylphenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 114330849
N-[(3-iodophenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 63503327
N-[(4-fluoro-3-methoxyphenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 81283095
N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(5-methyloxolan-2-yl)methyl]propan-1-amine
CID 81330623
N-[(4-bromophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine
CID 43493498
N-[1,4-dioxan-2-yl-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]propan-1-amine
CID 62805438
N-[(7-methyl-1-benzofuran-2-yl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 105045492
N-[(3-methylthiophen-2-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 43495885

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(3-methylthiophen-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(3-methylthiophen-2-yl)methyl]propan-1-amine (CID 43498094) is N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(3-methylthiophen-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(3-methylthiophen-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(3-methylthiophen-2-yl)methyl]propan-1-amine is CCCNC(c1ccc2c(c1)CC(C)O2)c1sccc1C.
What is the InChIKey of N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(3-methylthiophen-2-yl)methyl]propan-1-amine?
The InChIKey is HKWBKVORCDSCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NOS/c1-4-8-19-17(18-12(2)7-9-21-18)14-5-6-16-15(11-14)10-13(3)20-16/h5-7,9,11,13,17,19H,4,8,10H2,1-3H3.
What are the key properties of N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(3-methylthiophen-2-yl)methyl]propan-1-amine?
N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(3-methylthiophen-2-yl)methyl]propan-1-amine has a molecular weight of 301.45 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(3-methylthiophen-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 43498094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).