N-[(3-cyclopropyl-7-ethyl-1-benzofuran-2-yl)methyl]propan-1-amine

C17H23NO — CID 114376967

IUPACN-[(3-cyclopropyl-7-ethyl-1-benzofuran-2-yl)methyl]propan-1-amine
SMILESCCCNCc1oc2c(CC)cccc2c1C1CC1
InChIInChI=1S/C17H23NO/c1-3-10-18-11-15-16(13-8-9-13)14-7-5-6-12(4-2)17(14)19-15/h5-7,13,18H,3-4,8-11H2,1-2H3
InChIKeyNHZULGXJMFVKOP-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.37
Rot. Bonds6

About N-[(3-cyclopropyl-7-ethyl-1-benzofuran-2-yl)methyl]propan-1-amine

N-[(3-cyclopropyl-7-ethyl-1-benzofuran-2-yl)methyl]propan-1-amine (PubChem CID 114376967) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[(3-cyclopropyl-7-ethyl-1-benzofuran-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-cyclopropyl-7-ethyl-1-benzofuran-2-yl)methyl]propan-1-amine
PubChem CID114376967
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC NameN-[(3-cyclopropyl-7-ethyl-1-benzofuran-2-yl)methyl]propan-1-amine
SMILESCCCNCc1oc2c(CC)cccc2c1C1CC1
InChIInChI=1S/C17H23NO/c1-3-10-18-11-15-16(13-8-9-13)14-7-5-6-12(4-2)17(14)19-15/h5-7,13,18H,3-4,8-11H2,1-2H3
InChIKeyNHZULGXJMFVKOP-UHFFFAOYSA-N
XLogP4.37
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3,7-diethyl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 104843086
N-[(3-cyclopropyl-5-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine
CID 114375397
N-[(4-bromo-3-cyclopropyl-7-methyl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 107287762
1-(3-cyclopropyl-7-propoxy-1-benzofuran-2-yl)-N-methylmethanamine
CID 114376817
1-(3,7-diethyl-1-benzofuran-2-yl)-N-methylmethanamine
CID 104843083
N-[[7-ethyl-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-1-amine
CID 114376971
N-[(3-ethyl-7-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 104843012
N-[(3-cyclopropyl-7-fluoro-1-benzothiophen-2-yl)methyl]propan-1-amine
CID 114378106
N-[[7-ethyl-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]propan-2-amine
CID 114376989
N-[(5-bromo-3-cyclopropyl-7-methyl-1-benzofuran-2-yl)methyl]ethanamine
CID 114377311
N-[[7-methoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]propan-1-amine
CID 114375084
1-(6,7-dichloro-3-cyclopropyl-1-benzofuran-2-yl)-N-methylmethanamine
CID 114375475

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyl-7-ethyl-1-benzofuran-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3-cyclopropyl-7-ethyl-1-benzofuran-2-yl)methyl]propan-1-amine (CID 114376967) is N-[(3-cyclopropyl-7-ethyl-1-benzofuran-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-cyclopropyl-7-ethyl-1-benzofuran-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-cyclopropyl-7-ethyl-1-benzofuran-2-yl)methyl]propan-1-amine is CCCNCc1oc2c(CC)cccc2c1C1CC1.
What is the InChIKey of N-[(3-cyclopropyl-7-ethyl-1-benzofuran-2-yl)methyl]propan-1-amine?
The InChIKey is NHZULGXJMFVKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-3-10-18-11-15-16(13-8-9-13)14-7-5-6-12(4-2)17(14)19-15/h5-7,13,18H,3-4,8-11H2,1-2H3.
What are the key properties of N-[(3-cyclopropyl-7-ethyl-1-benzofuran-2-yl)methyl]propan-1-amine?
N-[(3-cyclopropyl-7-ethyl-1-benzofuran-2-yl)methyl]propan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyl-7-ethyl-1-benzofuran-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 114376967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).