cyclopropyl-(7-propoxy-1-benzofuran-2-yl)methanamine

C15H19NO2 — CID 65439495

IUPACcyclopropyl-(7-propoxy-1-benzofuran-2-yl)methanamine
SMILESCCCOc1cccc2cc(C(N)C3CC3)oc12
InChIInChI=1S/C15H19NO2/c1-2-8-17-12-5-3-4-11-9-13(18-15(11)12)14(16)10-6-7-10/h3-5,9-10,14H,2,6-8,16H2,1H3
InChIKeyYPMCLDYPMJSDQV-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.63
Rot. Bonds5

About cyclopropyl-(7-propoxy-1-benzofuran-2-yl)methanamine

cyclopropyl-(7-propoxy-1-benzofuran-2-yl)methanamine (PubChem CID 65439495) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is cyclopropyl-(7-propoxy-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Namecyclopropyl-(7-propoxy-1-benzofuran-2-yl)methanamine
PubChem CID65439495
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Namecyclopropyl-(7-propoxy-1-benzofuran-2-yl)methanamine
SMILESCCCOc1cccc2cc(C(N)C3CC3)oc12
InChIInChI=1S/C15H19NO2/c1-2-8-17-12-5-3-4-11-9-13(18-15(11)12)14(16)10-6-7-10/h3-5,9-10,14H,2,6-8,16H2,1H3
InChIKeyYPMCLDYPMJSDQV-UHFFFAOYSA-N
XLogP3.63
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

dioxido-[(7-propoxy-1-benzofuran-2-yl)oxy]borane
CID 86756851
(1R)-1-(7-methoxy-1-benzofuran-2-yl)butan-1-amine
CID 165461151
1-(7-methoxy-1-benzofuran-2-yl)propan-1-amine
CID 65438646
(7-chloro-1-benzofuran-2-yl)-cyclobutylmethanamine
CID 114728828
1-cyclopropyl-2-(2-propoxyphenoxy)ethanamine
CID 63913161
2-[[1-(7-butoxy-1-benzofuran-2-yl)ethylamino]methyl]cyclohexan-1-ol
CID 175067207
1-benzofuran-2-yl-(4-methylcyclohexyl)methanamine
CID 64776063
(5-chloro-7-methoxy-1-benzofuran-2-yl)-cyclohexylmethanamine
CID 104666705
(1R)-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-1-(7-ethoxy-1-benzofuran-2-yl)ethanamine
CID 97336049
2-cyclopropyl-2-methoxy-1-(2-propoxyphenyl)ethanamine
CID 116721965
2-(1-aminoethyl)-1-benzofuran-7-ol
CID 82599376
1-[1-(7-ethoxy-1-benzofuran-2-yl)ethylamino]ethanol
CID 175788600

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(7-propoxy-1-benzofuran-2-yl)methanamine?
The IUPAC name of cyclopropyl-(7-propoxy-1-benzofuran-2-yl)methanamine (CID 65439495) is cyclopropyl-(7-propoxy-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for cyclopropyl-(7-propoxy-1-benzofuran-2-yl)methanamine?
The canonical SMILES for cyclopropyl-(7-propoxy-1-benzofuran-2-yl)methanamine is CCCOc1cccc2cc(C(N)C3CC3)oc12.
What is the InChIKey of cyclopropyl-(7-propoxy-1-benzofuran-2-yl)methanamine?
The InChIKey is YPMCLDYPMJSDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-2-8-17-12-5-3-4-11-9-13(18-15(11)12)14(16)10-6-7-10/h3-5,9-10,14H,2,6-8,16H2,1H3.
What are the key properties of cyclopropyl-(7-propoxy-1-benzofuran-2-yl)methanamine?
cyclopropyl-(7-propoxy-1-benzofuran-2-yl)methanamine has a molecular weight of 245.32 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(7-propoxy-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 65439495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).