N-[[4-(1,3-dihydroisoindol-2-ylmethyl)-5-methylfuran-2-yl]methyl]propan-2-amine

C18H24N2O — CID 62438593

IUPACN-[[4-(1,3-dihydroisoindol-2-ylmethyl)-5-methylfuran-2-yl]methyl]propan-2-amine
SMILESCc1oc(CNC(C)C)cc1CN1Cc2ccccc2C1
InChIInChI=1S/C18H24N2O/c1-13(2)19-9-18-8-17(14(3)21-18)12-20-10-15-6-4-5-7-16(15)11-20/h4-8,13,19H,9-12H2,1-3H3
InChIKeyXFKUUMCQEULMLV-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.60
Rot. Bonds5

About N-[[4-(1,3-dihydroisoindol-2-ylmethyl)-5-methylfuran-2-yl]methyl]propan-2-amine

N-[[4-(1,3-dihydroisoindol-2-ylmethyl)-5-methylfuran-2-yl]methyl]propan-2-amine (PubChem CID 62438593) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[[4-(1,3-dihydroisoindol-2-ylmethyl)-5-methylfuran-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(1,3-dihydroisoindol-2-ylmethyl)-5-methylfuran-2-yl]methyl]propan-2-amine
PubChem CID62438593
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-[[4-(1,3-dihydroisoindol-2-ylmethyl)-5-methylfuran-2-yl]methyl]propan-2-amine
SMILESCc1oc(CNC(C)C)cc1CN1Cc2ccccc2C1
InChIInChI=1S/C18H24N2O/c1-13(2)19-9-18-8-17(14(3)21-18)12-20-10-15-6-4-5-7-16(15)11-20/h4-8,13,19H,9-12H2,1-3H3
InChIKeyXFKUUMCQEULMLV-UHFFFAOYSA-N
XLogP3.60
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-methyl-4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
CID 114413222
N-[[4-[(4-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine
CID 62412026
N-[[4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine
CID 63163387
N-[[3-(1,3-dihydroisoindol-2-ylmethyl)furan-2-yl]methyl]propan-2-amine
CID 62437647
N-[[4-[(2,3-dimethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine
CID 62412465
N-[[2-(1,3-dihydroisoindol-2-ylmethyl)furan-3-yl]methyl]propan-2-amine
CID 62439140
N-[[4-[(dimethylamino)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine
CID 62417062
N-[[2-methyl-5-(thiomorpholin-4-ylmethyl)furan-3-yl]methyl]propan-2-amine
CID 62418259
N-[[4-[(2,4-dimethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine
CID 62431233
N-[[4-[(2-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine
CID 62422888
N-[[5-methyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-yl]methyl]propan-2-amine
CID 62442947
N-[[2-methyl-5-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 114540088

Frequently Asked Questions

What is the IUPAC name of N-[[4-(1,3-dihydroisoindol-2-ylmethyl)-5-methylfuran-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(1,3-dihydroisoindol-2-ylmethyl)-5-methylfuran-2-yl]methyl]propan-2-amine (CID 62438593) is N-[[4-(1,3-dihydroisoindol-2-ylmethyl)-5-methylfuran-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(1,3-dihydroisoindol-2-ylmethyl)-5-methylfuran-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(1,3-dihydroisoindol-2-ylmethyl)-5-methylfuran-2-yl]methyl]propan-2-amine is Cc1oc(CNC(C)C)cc1CN1Cc2ccccc2C1.
What is the InChIKey of N-[[4-(1,3-dihydroisoindol-2-ylmethyl)-5-methylfuran-2-yl]methyl]propan-2-amine?
The InChIKey is XFKUUMCQEULMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-13(2)19-9-18-8-17(14(3)21-18)12-20-10-15-6-4-5-7-16(15)11-20/h4-8,13,19H,9-12H2,1-3H3.
What are the key properties of N-[[4-(1,3-dihydroisoindol-2-ylmethyl)-5-methylfuran-2-yl]methyl]propan-2-amine?
N-[[4-(1,3-dihydroisoindol-2-ylmethyl)-5-methylfuran-2-yl]methyl]propan-2-amine has a molecular weight of 284.40 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1,3-dihydroisoindol-2-ylmethyl)-5-methylfuran-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 62438593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).