N-[[3-(1,3-dihydroisoindol-2-ylmethyl)furan-2-yl]methyl]propan-2-amine

C17H22N2O — CID 62437647

IUPACN-[[3-(1,3-dihydroisoindol-2-ylmethyl)furan-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1occc1CN1Cc2ccccc2C1
InChIInChI=1S/C17H22N2O/c1-13(2)18-9-17-16(7-8-20-17)12-19-10-14-5-3-4-6-15(14)11-19/h3-8,13,18H,9-12H2,1-2H3
InChIKeyHECQSNVYDWEAML-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.29
Rot. Bonds5

About N-[[3-(1,3-dihydroisoindol-2-ylmethyl)furan-2-yl]methyl]propan-2-amine

N-[[3-(1,3-dihydroisoindol-2-ylmethyl)furan-2-yl]methyl]propan-2-amine (PubChem CID 62437647) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[[3-(1,3-dihydroisoindol-2-ylmethyl)furan-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-(1,3-dihydroisoindol-2-ylmethyl)furan-2-yl]methyl]propan-2-amine
PubChem CID62437647
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-[[3-(1,3-dihydroisoindol-2-ylmethyl)furan-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1occc1CN1Cc2ccccc2C1
InChIInChI=1S/C17H22N2O/c1-13(2)18-9-17-16(7-8-20-17)12-19-10-14-5-3-4-6-15(14)11-19/h3-8,13,18H,9-12H2,1-2H3
InChIKeyHECQSNVYDWEAML-UHFFFAOYSA-N
XLogP3.29
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(1,3-dihydroisoindol-2-ylmethyl)furan-3-yl]methyl]propan-2-amine
CID 62439140
N-[[3-(morpholin-4-ylmethyl)furan-2-yl]methyl]propan-2-amine
CID 62437907
N-[[3-[(4-propylpiperazin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
CID 62423440
N-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
CID 62423418
N-[[3-[(2-ethylmorpholin-4-yl)methyl]furan-2-yl]methyl]propan-2-amine
CID 62434453
N-[[2-[(4-methylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 62439241
N-[[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)furan-2-yl]methyl]ethanamine
CID 62425183
N,N,4-trimethyl-1-[[2-[(propan-2-ylamino)methyl]furan-3-yl]methyl]pyrrolidin-3-amine
CID 81469166
N-[[4-(1,3-dihydroisoindol-2-ylmethyl)-5-methylfuran-2-yl]methyl]propan-2-amine
CID 62438593
N-[[3-[(3-ethyl-4-methylpiperazin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
CID 63620979
N-[[3-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]furan-2-yl]methyl]propan-2-amine
CID 102728475
1-[3-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)furan-2-yl]-N-methylmethanamine
CID 63193354

Frequently Asked Questions

What is the IUPAC name of N-[[3-(1,3-dihydroisoindol-2-ylmethyl)furan-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-(1,3-dihydroisoindol-2-ylmethyl)furan-2-yl]methyl]propan-2-amine (CID 62437647) is N-[[3-(1,3-dihydroisoindol-2-ylmethyl)furan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-(1,3-dihydroisoindol-2-ylmethyl)furan-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-(1,3-dihydroisoindol-2-ylmethyl)furan-2-yl]methyl]propan-2-amine is CC(C)NCc1occc1CN1Cc2ccccc2C1.
What is the InChIKey of N-[[3-(1,3-dihydroisoindol-2-ylmethyl)furan-2-yl]methyl]propan-2-amine?
The InChIKey is HECQSNVYDWEAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-13(2)18-9-17-16(7-8-20-17)12-19-10-14-5-3-4-6-15(14)11-19/h3-8,13,18H,9-12H2,1-2H3.
What are the key properties of N-[[3-(1,3-dihydroisoindol-2-ylmethyl)furan-2-yl]methyl]propan-2-amine?
N-[[3-(1,3-dihydroisoindol-2-ylmethyl)furan-2-yl]methyl]propan-2-amine has a molecular weight of 270.38 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1,3-dihydroisoindol-2-ylmethyl)furan-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 62437647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).