N-[[5-(7-methyl-1-benzofuran-2-yl)furan-2-yl]methyl]propan-2-amine

C17H19NO2 — CID 106888159

IUPACN-[[5-(7-methyl-1-benzofuran-2-yl)furan-2-yl]methyl]propan-2-amine
SMILESCc1cccc2cc(-c3ccc(CNC(C)C)o3)oc12
InChIInChI=1S/C17H19NO2/c1-11(2)18-10-14-7-8-15(19-14)16-9-13-6-4-5-12(3)17(13)20-16/h4-9,11,18H,10H2,1-3H3
InChIKeyAVNOVVPNSVCUTA-UHFFFAOYSA-N
MW269.34 g/mol
LogP4.50
Rot. Bonds4

About N-[[5-(7-methyl-1-benzofuran-2-yl)furan-2-yl]methyl]propan-2-amine

N-[[5-(7-methyl-1-benzofuran-2-yl)furan-2-yl]methyl]propan-2-amine (PubChem CID 106888159) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-[[5-(7-methyl-1-benzofuran-2-yl)furan-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(7-methyl-1-benzofuran-2-yl)furan-2-yl]methyl]propan-2-amine
PubChem CID106888159
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC NameN-[[5-(7-methyl-1-benzofuran-2-yl)furan-2-yl]methyl]propan-2-amine
SMILESCc1cccc2cc(-c3ccc(CNC(C)C)o3)oc12
InChIInChI=1S/C17H19NO2/c1-11(2)18-10-14-7-8-15(19-14)16-9-13-6-4-5-12(3)17(13)20-16/h4-9,11,18H,10H2,1-3H3
InChIKeyAVNOVVPNSVCUTA-UHFFFAOYSA-N
XLogP4.50
TPSA38.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(7-fluoro-1-benzofuran-2-yl)furan-2-yl]methyl]propan-2-amine
CID 106888190
N-[[5-(2-chloro-4,5-dimethylphenyl)furan-2-yl]methyl]propan-2-amine
CID 106889009
N-[[5-(4-bromo-3,5-dimethylphenyl)furan-2-yl]methyl]propan-2-amine
CID 107577096
N-[[5-(4-methoxy-3-methylphenyl)furan-2-yl]methyl]propan-2-amine
CID 106888703
N-[[5-(2-chloro-4-fluoro-5-methylphenyl)furan-2-yl]methyl]propan-2-amine
CID 106888976
N-[[5-(2-fluoro-3-methoxyphenyl)furan-2-yl]methyl]propan-2-amine
CID 106887913
2-(methoxymethyl)-7-methyl-1-benzofuran
CID 117186379
N-[[5-[2-methyl-4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine
CID 106888266
N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine;hydrochloride
CID 17156683
N-[[3-(7-chloro-1-benzofuran-2-yl)furan-2-yl]methyl]propan-2-amine
CID 106888206
N-methyl-1-[4-(7-methyl-1-benzofuran-2-yl)phenyl]ethanamine
CID 114732283
N-[(5-pyridin-3-ylfuran-2-yl)methyl]propan-2-amine
CID 103625236

Frequently Asked Questions

What is the IUPAC name of N-[[5-(7-methyl-1-benzofuran-2-yl)furan-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(7-methyl-1-benzofuran-2-yl)furan-2-yl]methyl]propan-2-amine (CID 106888159) is N-[[5-(7-methyl-1-benzofuran-2-yl)furan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(7-methyl-1-benzofuran-2-yl)furan-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(7-methyl-1-benzofuran-2-yl)furan-2-yl]methyl]propan-2-amine is Cc1cccc2cc(-c3ccc(CNC(C)C)o3)oc12.
What is the InChIKey of N-[[5-(7-methyl-1-benzofuran-2-yl)furan-2-yl]methyl]propan-2-amine?
The InChIKey is AVNOVVPNSVCUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-11(2)18-10-14-7-8-15(19-14)16-9-13-6-4-5-12(3)17(13)20-16/h4-9,11,18H,10H2,1-3H3.
What are the key properties of N-[[5-(7-methyl-1-benzofuran-2-yl)furan-2-yl]methyl]propan-2-amine?
N-[[5-(7-methyl-1-benzofuran-2-yl)furan-2-yl]methyl]propan-2-amine has a molecular weight of 269.34 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(7-methyl-1-benzofuran-2-yl)furan-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 106888159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).