N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3,4-dihydro-1H-isochromen-4-amine

C19H24N2O2 — CID 167947026

IUPACN-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3,4-dihydro-1H-isochromen-4-amine
SMILESc1coc(C(CNC2COCc3ccccc32)N2CCCC2)c1
InChIInChI=1S/C19H24N2O2/c1-2-7-16-15(6-1)13-22-14-17(16)20-12-18(19-8-5-11-23-19)21-9-3-4-10-21/h1-2,5-8,11,17-18,20H,3-4,9-10,12-14H2
InChIKeyFNECYDOTJLBTJA-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.28
Rot. Bonds5

About N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3,4-dihydro-1H-isochromen-4-amine

N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3,4-dihydro-1H-isochromen-4-amine (PubChem CID 167947026) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3,4-dihydro-1H-isochromen-4-amine.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3,4-dihydro-1H-isochromen-4-amine
PubChem CID167947026
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC NameN-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3,4-dihydro-1H-isochromen-4-amine
SMILESc1coc(C(CNC2COCc3ccccc32)N2CCCC2)c1
InChIInChI=1S/C19H24N2O2/c1-2-7-16-15(6-1)13-22-14-17(16)20-12-18(19-8-5-11-23-19)21-9-3-4-10-21/h1-2,5-8,11,17-18,20H,3-4,9-10,12-14H2
InChIKeyFNECYDOTJLBTJA-UHFFFAOYSA-N
XLogP3.28
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3,4-dihydro-1H-isochromen-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]cyclohexane-1,4-diamine
CID 79724195
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3,5-dimethylcyclohexan-1-amine
CID 64723807
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylcyclohexan-1-amine
CID 43181240
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-methylazepan-4-amine
CID 65070997
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-methylpyrrolidin-3-amine
CID 62975040
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methoxycyclobutan-1-amine
CID 104870773
1-ethyl-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidin-4-amine
CID 43181238
N-(cyclopropylmethyl)-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine
CID 43654889
1-(cyclopropylmethyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidin-4-amine
CID 84587836
2-(azepan-1-yl)-N-ethyl-2-(furan-2-yl)ethanamine
CID 22692497
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylpropan-1-amine
CID 83380875
N-[(2-chlorophenyl)methyl]-3,4-dihydro-1H-isochromen-4-amine
CID 107148772

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3,4-dihydro-1H-isochromen-4-amine?
The IUPAC name of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3,4-dihydro-1H-isochromen-4-amine (CID 167947026) is N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3,4-dihydro-1H-isochromen-4-amine.
What is the SMILES notation for N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3,4-dihydro-1H-isochromen-4-amine?
The canonical SMILES for N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3,4-dihydro-1H-isochromen-4-amine is c1coc(C(CNC2COCc3ccccc32)N2CCCC2)c1.
What is the InChIKey of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3,4-dihydro-1H-isochromen-4-amine?
The InChIKey is FNECYDOTJLBTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-2-7-16-15(6-1)13-22-14-17(16)20-12-18(19-8-5-11-23-19)21-9-3-4-10-21/h1-2,5-8,11,17-18,20H,3-4,9-10,12-14H2.
What are the key properties of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3,4-dihydro-1H-isochromen-4-amine?
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3,4-dihydro-1H-isochromen-4-amine has a molecular weight of 312.41 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3,4-dihydro-1H-isochromen-4-amine is sourced from PubChem (CID 167947026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).