1-(7-methyl-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-amine

C17H18N2O — CID 105185601

IUPAC1-(7-methyl-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-amine
SMILESCc1cccc2cc(C(N)CCc3ccncc3)oc12
InChIInChI=1S/C17H18N2O/c1-12-3-2-4-14-11-16(20-17(12)14)15(18)6-5-13-7-9-19-10-8-13/h2-4,7-11,15H,5-6,18H2,1H3
InChIKeyRFFWEMHXXVTSDQ-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.77
Rot. Bonds4

About 1-(7-methyl-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-amine

1-(7-methyl-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-amine (PubChem CID 105185601) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-(7-methyl-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-amine.

Molecular Properties

Compound Name1-(7-methyl-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-amine
PubChem CID105185601
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name1-(7-methyl-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-amine
SMILESCc1cccc2cc(C(N)CCc3ccncc3)oc12
InChIInChI=1S/C17H18N2O/c1-12-3-2-4-14-11-16(20-17(12)14)15(18)6-5-13-7-9-19-10-8-13/h2-4,7-11,15H,5-6,18H2,1H3
InChIKeyRFFWEMHXXVTSDQ-UHFFFAOYSA-N
XLogP3.77
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7-methyl-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-ol
CID 105129255
N-methyl-1-(7-methyl-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-amine
CID 105185489
1-(7-methyl-1-benzofuran-2-yl)propan-1-amine
CID 65440950
3-methoxy-1-(7-methyl-1-benzofuran-2-yl)propan-1-amine
CID 114728058
[(7-methyl-1-benzofuran-2-yl)-pyridin-4-ylmethyl]hydrazine
CID 105196376
1-(7-methyl-1-benzofuran-2-yl)-3-phenoxypropan-1-amine
CID 114727504
1-(7-bromo-1-benzofuran-2-yl)-3-phenylpropan-1-amine
CID 105094359
2-ethylsulfanyl-1-(7-methyl-1-benzofuran-2-yl)ethanamine
CID 114728880
1-(7-methyl-1-benzofuran-2-yl)-4-phenylbutan-1-ol
CID 105129309
2-(3,4-difluorophenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanamine
CID 105045588
(7-methyl-1-benzofuran-2-yl)-(2-methylpyrazol-3-yl)methanamine
CID 105185597
1-(7-methyl-1-benzofuran-2-yl)-2-phenoxyethanamine
CID 114728378

Frequently Asked Questions

What is the IUPAC name of 1-(7-methyl-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-amine?
The IUPAC name of 1-(7-methyl-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-amine (CID 105185601) is 1-(7-methyl-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-amine.
What is the SMILES notation for 1-(7-methyl-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-amine?
The canonical SMILES for 1-(7-methyl-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-amine is Cc1cccc2cc(C(N)CCc3ccncc3)oc12.
What is the InChIKey of 1-(7-methyl-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-amine?
The InChIKey is RFFWEMHXXVTSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-12-3-2-4-14-11-16(20-17(12)14)15(18)6-5-13-7-9-19-10-8-13/h2-4,7-11,15H,5-6,18H2,1H3.
What are the key properties of 1-(7-methyl-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-amine?
1-(7-methyl-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-amine has a molecular weight of 266.34 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methyl-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-amine is sourced from PubChem (CID 105185601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).