N-[(5-methyl-1-benzofuran-2-yl)-(4-methylthiophen-3-yl)methyl]propan-1-amine

C18H21NOS — CID 114730144

IUPACN-[(5-methyl-1-benzofuran-2-yl)-(4-methylthiophen-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc2cc(C)ccc2o1)c1cscc1C
InChIInChI=1S/C18H21NOS/c1-4-7-19-18(15-11-21-10-13(15)3)17-9-14-8-12(2)5-6-16(14)20-17/h5-6,8-11,18-19H,4,7H2,1-3H3
InChIKeyLDNFVZIHVWRYTA-UHFFFAOYSA-N
MW299.44 g/mol
LogP5.20
Rot. Bonds5

About N-[(5-methyl-1-benzofuran-2-yl)-(4-methylthiophen-3-yl)methyl]propan-1-amine

N-[(5-methyl-1-benzofuran-2-yl)-(4-methylthiophen-3-yl)methyl]propan-1-amine (PubChem CID 114730144) has the molecular formula C18H21NOS and a molecular weight of 299.44 g/mol. Its IUPAC name is N-[(5-methyl-1-benzofuran-2-yl)-(4-methylthiophen-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-methyl-1-benzofuran-2-yl)-(4-methylthiophen-3-yl)methyl]propan-1-amine
PubChem CID114730144
Molecular FormulaC18H21NOS
Molecular Weight299.44 g/mol
Exact Mass299.13
IUPAC NameN-[(5-methyl-1-benzofuran-2-yl)-(4-methylthiophen-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc2cc(C)ccc2o1)c1cscc1C
InChIInChI=1S/C18H21NOS/c1-4-7-19-18(15-11-21-10-13(15)3)17-9-14-8-12(2)5-6-16(14)20-17/h5-6,8-11,18-19H,4,7H2,1-3H3
InChIKeyLDNFVZIHVWRYTA-UHFFFAOYSA-N
XLogP5.20
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.44
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(5-methyl-1-benzofuran-2-yl)-(4-methylthiophen-3-yl)methyl]propan-1-amine with MolForge

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Related Compounds

N-[(2,4-dimethylphenyl)-(4-methylthiophen-3-yl)methyl]propan-1-amine
CID 79801999
N-[(5-methyl-1-benzofuran-2-yl)-phenylmethyl]propan-1-amine
CID 114727860
N-[(5-bromofuran-2-yl)-(5-methyl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 105045147
N-[(5-methyl-1-benzofuran-2-yl)-(1,3-thiazol-5-yl)methyl]propan-1-amine
CID 114730213
N-[(3-bromothiophen-2-yl)-(5-methyl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 105045202
[(4-bromothiophen-3-yl)-(5-methyl-1-benzofuran-2-yl)methyl]hydrazine
CID 105322592
2,3-dimethyl-1-(5-methyl-1-benzofuran-2-yl)-N-propylbutan-1-amine
CID 105045138
1-(5-methyl-1-benzofuran-2-yl)-N-propylprop-2-yn-1-amine
CID 105158225
N-[(5-methyl-1-benzofuran-2-yl)-(2-methylthiophen-3-yl)methyl]ethanamine
CID 102841419
N-[(5-methyl-1-benzofuran-2-yl)-pyridin-3-ylmethyl]propan-1-amine
CID 114727737
N-[1H-imidazol-2-yl-(5-methyl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 114730166
N-[(2-iodophenyl)-(5-methyl-1-benzofuran-2-yl)methyl]ethanamine
CID 105045279

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1-benzofuran-2-yl)-(4-methylthiophen-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(5-methyl-1-benzofuran-2-yl)-(4-methylthiophen-3-yl)methyl]propan-1-amine (CID 114730144) is N-[(5-methyl-1-benzofuran-2-yl)-(4-methylthiophen-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-methyl-1-benzofuran-2-yl)-(4-methylthiophen-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-methyl-1-benzofuran-2-yl)-(4-methylthiophen-3-yl)methyl]propan-1-amine is CCCNC(c1cc2cc(C)ccc2o1)c1cscc1C.
What is the InChIKey of N-[(5-methyl-1-benzofuran-2-yl)-(4-methylthiophen-3-yl)methyl]propan-1-amine?
The InChIKey is LDNFVZIHVWRYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NOS/c1-4-7-19-18(15-11-21-10-13(15)3)17-9-14-8-12(2)5-6-16(14)20-17/h5-6,8-11,18-19H,4,7H2,1-3H3.
What are the key properties of N-[(5-methyl-1-benzofuran-2-yl)-(4-methylthiophen-3-yl)methyl]propan-1-amine?
N-[(5-methyl-1-benzofuran-2-yl)-(4-methylthiophen-3-yl)methyl]propan-1-amine has a molecular weight of 299.44 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1-benzofuran-2-yl)-(4-methylthiophen-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 114730144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).