1-(2-cyclopropyl-5-methoxy-1-benzofuran-3-yl)propan-2-amine

C15H19NO2 — CID 170865073

IUPAC1-(2-cyclopropyl-5-methoxy-1-benzofuran-3-yl)propan-2-amine
SMILESCOc1ccc2oc(C3CC3)c(CC(C)N)c2c1
InChIInChI=1S/C15H19NO2/c1-9(16)7-13-12-8-11(17-2)5-6-14(12)18-15(13)10-3-4-10/h5-6,8-10H,3-4,7,16H2,1-2H3
InChIKeyDPFVJIFQNAJMPZ-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.21
Rot. Bonds4

About 1-(2-cyclopropyl-5-methoxy-1-benzofuran-3-yl)propan-2-amine

1-(2-cyclopropyl-5-methoxy-1-benzofuran-3-yl)propan-2-amine (PubChem CID 170865073) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 1-(2-cyclopropyl-5-methoxy-1-benzofuran-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2-cyclopropyl-5-methoxy-1-benzofuran-3-yl)propan-2-amine
PubChem CID170865073
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name1-(2-cyclopropyl-5-methoxy-1-benzofuran-3-yl)propan-2-amine
SMILESCOc1ccc2oc(C3CC3)c(CC(C)N)c2c1
InChIInChI=1S/C15H19NO2/c1-9(16)7-13-12-8-11(17-2)5-6-14(12)18-15(13)10-3-4-10/h5-6,8-10H,3-4,7,16H2,1-2H3
InChIKeyDPFVJIFQNAJMPZ-UHFFFAOYSA-N
XLogP3.21
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-5-methoxy-1-benzofuran-3-carbaldehyde
CID 36995432
5-methoxy-3-(2-methylpropyl)-1-benzofuran-2-carboxylic acid
CID 113443722
(1S)-1-(5-methoxy-2-methyl-1-benzofuran-3-yl)ethanamine
CID 28924769
1-(3-cyclopropyl-5-methoxy-1-benzofuran-2-yl)ethanone
CID 82372714
N-[[5-methoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine
CID 114375292
2-[5-methoxy-2-[(4-methoxyphenyl)methyl]-1-benzofuran-3-yl]ethanamine
CID 11121585
N-[(5-methoxy-3-propyl-1-benzofuran-2-yl)methyl]cyclopropanamine
CID 114375304
2-(2-benzyl-5-methoxy-1-benzofuran-3-yl)ethanamine
CID 11023552
1-(5-methoxy-2,7-dimethyl-1H-indol-3-yl)propan-2-amine
CID 82495879
1-[4-methoxy-2-(oxan-3-yloxy)phenyl]propan-2-amine
CID 107137128
5-methoxy-2-(2-methylpropyl)-1-benzofuran-3-carboxylic acid
CID 131696400
1-[4-methoxy-2-(oxan-4-ylmethoxy)phenyl]propan-2-amine
CID 62385912

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-5-methoxy-1-benzofuran-3-yl)propan-2-amine?
The IUPAC name of 1-(2-cyclopropyl-5-methoxy-1-benzofuran-3-yl)propan-2-amine (CID 170865073) is 1-(2-cyclopropyl-5-methoxy-1-benzofuran-3-yl)propan-2-amine.
What is the SMILES notation for 1-(2-cyclopropyl-5-methoxy-1-benzofuran-3-yl)propan-2-amine?
The canonical SMILES for 1-(2-cyclopropyl-5-methoxy-1-benzofuran-3-yl)propan-2-amine is COc1ccc2oc(C3CC3)c(CC(C)N)c2c1.
What is the InChIKey of 1-(2-cyclopropyl-5-methoxy-1-benzofuran-3-yl)propan-2-amine?
The InChIKey is DPFVJIFQNAJMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-9(16)7-13-12-8-11(17-2)5-6-14(12)18-15(13)10-3-4-10/h5-6,8-10H,3-4,7,16H2,1-2H3.
What are the key properties of 1-(2-cyclopropyl-5-methoxy-1-benzofuran-3-yl)propan-2-amine?
1-(2-cyclopropyl-5-methoxy-1-benzofuran-3-yl)propan-2-amine has a molecular weight of 245.32 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-5-methoxy-1-benzofuran-3-yl)propan-2-amine is sourced from PubChem (CID 170865073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).