N-(1-benzofuran-3-ylmethyl)-1-phenylpropan-2-amine

C18H19NO — CID 80700525

IUPACN-(1-benzofuran-3-ylmethyl)-1-phenylpropan-2-amine
SMILESCC(Cc1ccccc1)NCc1coc2ccccc12
InChIInChI=1S/C18H19NO/c1-14(11-15-7-3-2-4-8-15)19-12-16-13-20-18-10-6-5-9-17(16)18/h2-10,13-14,19H,11-12H2,1H3
InChIKeyPKWXIDLCKOAIKN-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.15
Rot. Bonds5

About N-(1-benzofuran-3-ylmethyl)-1-phenylpropan-2-amine

N-(1-benzofuran-3-ylmethyl)-1-phenylpropan-2-amine (PubChem CID 80700525) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is N-(1-benzofuran-3-ylmethyl)-1-phenylpropan-2-amine.

Molecular Properties

Compound NameN-(1-benzofuran-3-ylmethyl)-1-phenylpropan-2-amine
PubChem CID80700525
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC NameN-(1-benzofuran-3-ylmethyl)-1-phenylpropan-2-amine
SMILESCC(Cc1ccccc1)NCc1coc2ccccc12
InChIInChI=1S/C18H19NO/c1-14(11-15-7-3-2-4-8-15)19-12-16-13-20-18-10-6-5-9-17(16)18/h2-10,13-14,19H,11-12H2,1H3
InChIKeyPKWXIDLCKOAIKN-UHFFFAOYSA-N
XLogP4.15
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-benzofuran-3-ylmethyl)-1-(5-methylthiophen-2-yl)propan-2-amine
CID 80703134
N-(1-benzofuran-3-ylmethyl)pent-4-yn-2-amine
CID 115750447
N-(1-benzofuran-3-ylmethyl)-4-methylsulfanylbutan-2-amine
CID 115750426
3-(1-benzofuran-3-ylmethylamino)butanamide
CID 115677058
N-(1-benzofuran-3-ylmethyl)-1-pyrrolidin-1-ylpropan-2-amine
CID 80701226
N-(1-benzofuran-3-ylmethyl)octan-2-amine
CID 80700860
N-(1-benzofuran-3-ylmethyl)-1,1-dicyclopropylmethanamine
CID 80700753
N-(1-benzofuran-3-ylmethyl)but-3-yn-2-amine
CID 114414908
2-(1-benzofuran-3-ylmethylamino)propanenitrile
CID 115130217
N-(1-benzofuran-3-ylmethyl)but-3-en-2-amine
CID 115750474
2-N-(1-benzofuran-3-ylmethyl)-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 80701303
(1R)-N-(1-benzofuran-3-ylmethyl)-1-(4-bromophenyl)ethanamine
CID 81354686

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-3-ylmethyl)-1-phenylpropan-2-amine?
The IUPAC name of N-(1-benzofuran-3-ylmethyl)-1-phenylpropan-2-amine (CID 80700525) is N-(1-benzofuran-3-ylmethyl)-1-phenylpropan-2-amine.
What is the SMILES notation for N-(1-benzofuran-3-ylmethyl)-1-phenylpropan-2-amine?
The canonical SMILES for N-(1-benzofuran-3-ylmethyl)-1-phenylpropan-2-amine is CC(Cc1ccccc1)NCc1coc2ccccc12.
What is the InChIKey of N-(1-benzofuran-3-ylmethyl)-1-phenylpropan-2-amine?
The InChIKey is PKWXIDLCKOAIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-14(11-15-7-3-2-4-8-15)19-12-16-13-20-18-10-6-5-9-17(16)18/h2-10,13-14,19H,11-12H2,1H3.
What are the key properties of N-(1-benzofuran-3-ylmethyl)-1-phenylpropan-2-amine?
N-(1-benzofuran-3-ylmethyl)-1-phenylpropan-2-amine has a molecular weight of 265.36 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-3-ylmethyl)-1-phenylpropan-2-amine is sourced from PubChem (CID 80700525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).