N-[5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)pentyl]cyclopropanamine

C17H25NO — CID 65305644

IUPACN-[5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)pentyl]cyclopropanamine
SMILESCC1Cc2cc(CCCCCNC3CC3)ccc2O1
InChIInChI=1S/C17H25NO/c1-13-11-15-12-14(6-9-17(15)19-13)5-3-2-4-10-18-16-7-8-16/h6,9,12-13,16,18H,2-5,7-8,10-11H2,1H3
InChIKeyCMBVFZBIILBOIU-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.47
Rot. Bonds7

About N-[5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)pentyl]cyclopropanamine

N-[5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)pentyl]cyclopropanamine (PubChem CID 65305644) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N-[5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)pentyl]cyclopropanamine.

Molecular Properties

Compound NameN-[5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)pentyl]cyclopropanamine
PubChem CID65305644
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN-[5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)pentyl]cyclopropanamine
SMILESCC1Cc2cc(CCCCCNC3CC3)ccc2O1
InChIInChI=1S/C17H25NO/c1-13-11-15-12-14(6-9-17(15)19-13)5-3-2-4-10-18-16-7-8-16/h6,9,12-13,16,18H,2-5,7-8,10-11H2,1H3
InChIKeyCMBVFZBIILBOIU-UHFFFAOYSA-N
XLogP3.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.47
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-ethyl-4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)butan-1-amine
CID 65303126
N-[6-(2,3-dihydro-1-benzofuran-5-yl)hexyl]cyclopropanamine
CID 65308356
N-[6-(2,2-dimethyl-3H-1-benzofuran-5-yl)hexyl]cyclopropanamine
CID 65306067
N-[6-(3,4-dimethylphenyl)hexyl]cyclopropanamine
CID 65308417
3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propanenitrile
CID 84770407
N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]hydroxylamine
CID 82600111
N-[4-(2,3-dihydro-1H-inden-5-yl)butyl]cyclopentanamine
CID 98016854
1-[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopropan-1-amine
CID 105471600
N-[5-(4-tert-butylphenyl)pentyl]cyclopropanamine
CID 65301069
N-[5-(3,4-diethoxyphenyl)pentyl]cyclopropanamine
CID 65300915
2-methyl-N-[2-[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethoxy]ethyl]propan-1-amine
CID 65303572
N-[4-[4-[2-(propan-2-ylamino)ethyl]phenyl]butyl]cyclopropanamine
CID 105347923

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)pentyl]cyclopropanamine?
The IUPAC name of N-[5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)pentyl]cyclopropanamine (CID 65305644) is N-[5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)pentyl]cyclopropanamine.
What is the SMILES notation for N-[5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)pentyl]cyclopropanamine?
The canonical SMILES for N-[5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)pentyl]cyclopropanamine is CC1Cc2cc(CCCCCNC3CC3)ccc2O1.
What is the InChIKey of N-[5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)pentyl]cyclopropanamine?
The InChIKey is CMBVFZBIILBOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-13-11-15-12-14(6-9-17(15)19-13)5-3-2-4-10-18-16-7-8-16/h6,9,12-13,16,18H,2-5,7-8,10-11H2,1H3.
What are the key properties of N-[5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)pentyl]cyclopropanamine?
N-[5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)pentyl]cyclopropanamine has a molecular weight of 259.39 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)pentyl]cyclopropanamine is sourced from PubChem (CID 65305644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).