cyclopropyl-[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)pyrrol-3-yl]methanamine

C17H20N2O — CID 79219546

IUPACcyclopropyl-[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)pyrrol-3-yl]methanamine
SMILESNC(c1ccn(CC2COc3ccccc32)c1)C1CC1
InChIInChI=1S/C17H20N2O/c18-17(12-5-6-12)13-7-8-19(9-13)10-14-11-20-16-4-2-1-3-15(14)16/h1-4,7-9,12,14,17H,5-6,10-11,18H2
InChIKeyWPOSUWGPIRSPNB-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.07
Rot. Bonds4

About cyclopropyl-[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)pyrrol-3-yl]methanamine

cyclopropyl-[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)pyrrol-3-yl]methanamine (PubChem CID 79219546) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is cyclopropyl-[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)pyrrol-3-yl]methanamine.

Molecular Properties

Compound Namecyclopropyl-[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)pyrrol-3-yl]methanamine
PubChem CID79219546
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Namecyclopropyl-[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)pyrrol-3-yl]methanamine
SMILESNC(c1ccn(CC2COc3ccccc32)c1)C1CC1
InChIInChI=1S/C17H20N2O/c18-17(12-5-6-12)13-7-8-19(9-13)10-14-11-20-16-4-2-1-3-15(14)16/h1-4,7-9,12,14,17H,5-6,10-11,18H2
InChIKeyWPOSUWGPIRSPNB-UHFFFAOYSA-N
XLogP3.07
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropyl-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrol-3-yl]methanamine
CID 104769112
cyclopropyl-[1-(2-methylpropyl)pyrrol-3-yl]methanamine
CID 79104428
1-cyclopentyl-2-(2,3-dihydro-1-benzofuran-3-yl)ethanamine
CID 112570233
1-cyclopropyl-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)ethanamine
CID 79227058
2-[[3-[amino(cyclopropyl)methyl]pyrrol-1-yl]methyl]benzonitrile
CID 79103383
1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrole-3-carbaldehyde
CID 104769067
2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol
CID 83210018
cyclopropyl-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]methanol
CID 79099405
[1-[(5-bromothiophen-2-yl)methyl]pyrrol-3-yl]-cyclopropylmethanamine
CID 79104004
1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperidin-3-amine
CID 79230283
[1-[(3-chlorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanamine
CID 79103464
2-[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperidin-4-yl]ethanamine
CID 79229389

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)pyrrol-3-yl]methanamine?
The IUPAC name of cyclopropyl-[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)pyrrol-3-yl]methanamine (CID 79219546) is cyclopropyl-[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)pyrrol-3-yl]methanamine.
What is the SMILES notation for cyclopropyl-[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)pyrrol-3-yl]methanamine?
The canonical SMILES for cyclopropyl-[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)pyrrol-3-yl]methanamine is NC(c1ccn(CC2COc3ccccc32)c1)C1CC1.
What is the InChIKey of cyclopropyl-[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)pyrrol-3-yl]methanamine?
The InChIKey is WPOSUWGPIRSPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c18-17(12-5-6-12)13-7-8-19(9-13)10-14-11-20-16-4-2-1-3-15(14)16/h1-4,7-9,12,14,17H,5-6,10-11,18H2.
What are the key properties of cyclopropyl-[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)pyrrol-3-yl]methanamine?
cyclopropyl-[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)pyrrol-3-yl]methanamine has a molecular weight of 268.36 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)pyrrol-3-yl]methanamine is sourced from PubChem (CID 79219546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).