N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(furan-2-yl)-N-methylpropan-1-amine

C17H21NO2 — CID 124847386

IUPACN-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(furan-2-yl)-N-methylpropan-1-amine
SMILESCN(CCCc1ccco1)C[C@H]1Cc2ccccc2O1
InChIInChI=1S/C17H21NO2/c1-18(10-4-7-15-8-5-11-19-15)13-16-12-14-6-2-3-9-17(14)20-16/h2-3,5-6,8-9,11,16H,4,7,10,12-13H2,1H3/t16-/m1/s1
InChIKeyKSMZOHDSPOESLZ-MRXNPFEDSA-N
MW271.36 g/mol
LogP3.15
Rot. Bonds6

About N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(furan-2-yl)-N-methylpropan-1-amine

N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(furan-2-yl)-N-methylpropan-1-amine (PubChem CID 124847386) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(furan-2-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(furan-2-yl)-N-methylpropan-1-amine
PubChem CID124847386
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC NameN-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(furan-2-yl)-N-methylpropan-1-amine
SMILESCN(CCCc1ccco1)C[C@H]1Cc2ccccc2O1
InChIInChI=1S/C17H21NO2/c1-18(10-4-7-15-8-5-11-19-15)13-16-12-14-6-2-3-9-17(14)20-16/h2-3,5-6,8-9,11,16H,4,7,10,12-13H2,1H3/t16-/m1/s1
InChIKeyKSMZOHDSPOESLZ-MRXNPFEDSA-N
XLogP3.15
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(furan-2-yl)-N-methylpropan-1-amine with MolForge

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Related Compounds

1-(2,3-dihydro-1-benzofuran-2-yl)-N,N-dimethylmethanamine
CID 2842479
3-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl-methylamino]propanenitrile
CID 7335000
3-[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]propanenitrile
CID 3112650
methyl 3-[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]propanoate
CID 66364601
2-(2-bromoethoxy)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-methylethanamine
CID 114242597
3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(furan-2-ylmethyl)-1-methylurea
CID 53497871
N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N',2-dimethylpropane-1,3-diamine
CID 66346636
N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N',2,2-trimethylpropane-1,3-diamine
CID 79651888
1-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)-N-(furan-2-ylmethyl)-N-methylmethanamine
CID 43527003
2-[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]propanenitrile
CID 66363965
N-tert-butyl-N'-[3-(furan-2-yl)propyl]-N'-methylethane-1,2-diamine
CID 113409228
4-[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]benzonitrile
CID 66364156

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(furan-2-yl)-N-methylpropan-1-amine?
The IUPAC name of N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(furan-2-yl)-N-methylpropan-1-amine (CID 124847386) is N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(furan-2-yl)-N-methylpropan-1-amine.
What is the SMILES notation for N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(furan-2-yl)-N-methylpropan-1-amine?
The canonical SMILES for N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(furan-2-yl)-N-methylpropan-1-amine is CN(CCCc1ccco1)C[C@H]1Cc2ccccc2O1.
What is the InChIKey of N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(furan-2-yl)-N-methylpropan-1-amine?
The InChIKey is KSMZOHDSPOESLZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H21NO2/c1-18(10-4-7-15-8-5-11-19-15)13-16-12-14-6-2-3-9-17(14)20-16/h2-3,5-6,8-9,11,16H,4,7,10,12-13H2,1H3/t16-/m1/s1.
What are the key properties of N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(furan-2-yl)-N-methylpropan-1-amine?
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(furan-2-yl)-N-methylpropan-1-amine has a molecular weight of 271.36 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(furan-2-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 124847386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).