N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropyl]pyrrolidin-3-amine

C16H24N2O — CID 115119195

IUPACN-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropyl]pyrrolidin-3-amine
SMILESCC(C)(CNC1CCNC1)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H24N2O/c1-16(2,11-18-14-5-7-17-10-14)13-3-4-15-12(9-13)6-8-19-15/h3-4,9,14,17-18H,5-8,10-11H2,1-2H3
InChIKeyFAJKNMDDLPIZPK-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.85
Rot. Bonds4

About N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropyl]pyrrolidin-3-amine

N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropyl]pyrrolidin-3-amine (PubChem CID 115119195) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropyl]pyrrolidin-3-amine
PubChem CID115119195
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropyl]pyrrolidin-3-amine
SMILESCC(C)(CNC1CCNC1)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H24N2O/c1-16(2,11-18-14-5-7-17-10-14)13-3-4-15-12(9-13)6-8-19-15/h3-4,9,14,17-18H,5-8,10-11H2,1-2H3
InChIKeyFAJKNMDDLPIZPK-UHFFFAOYSA-N
XLogP1.85
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,4-dimethylphenyl)-2-methylpropyl]pyrrolidin-3-amine
CID 115119164
3-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutan-1-amine
CID 22592399
1-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropyl]-2-methylpropane-1,2-diamine
CID 115136364
N-[2-methyl-2-(4-propylphenyl)propyl]pyrrolidin-3-amine
CID 115119176
2-[[2-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropyl]amino]ethanethiol
CID 115224523
5-(4-chloro-2-methylbutan-2-yl)-2,3-dihydro-1-benzofuran
CID 79837255
2-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropane-1-thiol
CID 116866512
3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-3-methylbutan-1-amine
CID 79830115
N-(2,3-dihydro-1-benzofuran-5-yl)piperidin-4-amine
CID 61017067
N'-[2-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropyl]-N-methylmethanediamine
CID 115227515
[[2-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropyl]amino]methanol
CID 115229672
2,3-dihydro-1-benzofuran-5-yl(pyrrolidin-3-yl)methanone
CID 116568338

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropyl]pyrrolidin-3-amine?
The IUPAC name of N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropyl]pyrrolidin-3-amine (CID 115119195) is N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropyl]pyrrolidin-3-amine.
What is the SMILES notation for N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropyl]pyrrolidin-3-amine?
The canonical SMILES for N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropyl]pyrrolidin-3-amine is CC(C)(CNC1CCNC1)c1ccc2c(c1)CCO2.
What is the InChIKey of N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropyl]pyrrolidin-3-amine?
The InChIKey is FAJKNMDDLPIZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-16(2,11-18-14-5-7-17-10-14)13-3-4-15-12(9-13)6-8-19-15/h3-4,9,14,17-18H,5-8,10-11H2,1-2H3.
What are the key properties of N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropyl]pyrrolidin-3-amine?
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropyl]pyrrolidin-3-amine has a molecular weight of 260.38 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropyl]pyrrolidin-3-amine is sourced from PubChem (CID 115119195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).