(1S)-N-[2-(1,3-dioxolan-2-yl)ethyl]-1-(3-methyl-1-benzofuran-2-yl)ethanamine

C16H21NO3 — CID 124571843

IUPAC(1S)-N-[2-(1,3-dioxolan-2-yl)ethyl]-1-(3-methyl-1-benzofuran-2-yl)ethanamine
SMILESCc1c([C@H](C)NCCC2OCCO2)oc2ccccc12
InChIInChI=1S/C16H21NO3/c1-11-13-5-3-4-6-14(13)20-16(11)12(2)17-8-7-15-18-9-10-19-15/h3-6,12,15,17H,7-10H2,1-2H3/t12-/m0/s1
InChIKeyYXFXKVCNTPHEDF-LBPRGKRZSA-N
MW275.35 g/mol
LogP3.15
Rot. Bonds5

About (1S)-N-[2-(1,3-dioxolan-2-yl)ethyl]-1-(3-methyl-1-benzofuran-2-yl)ethanamine

(1S)-N-[2-(1,3-dioxolan-2-yl)ethyl]-1-(3-methyl-1-benzofuran-2-yl)ethanamine (PubChem CID 124571843) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is (1S)-N-[2-(1,3-dioxolan-2-yl)ethyl]-1-(3-methyl-1-benzofuran-2-yl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[2-(1,3-dioxolan-2-yl)ethyl]-1-(3-methyl-1-benzofuran-2-yl)ethanamine
PubChem CID124571843
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name(1S)-N-[2-(1,3-dioxolan-2-yl)ethyl]-1-(3-methyl-1-benzofuran-2-yl)ethanamine
SMILESCc1c([C@H](C)NCCC2OCCO2)oc2ccccc12
InChIInChI=1S/C16H21NO3/c1-11-13-5-3-4-6-14(13)20-16(11)12(2)17-8-7-15-18-9-10-19-15/h3-6,12,15,17H,7-10H2,1-2H3/t12-/m0/s1
InChIKeyYXFXKVCNTPHEDF-LBPRGKRZSA-N
XLogP3.15
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S)-N-[2-(1,3-dioxolan-2-yl)ethyl]-1-(3-methyl-1-benzofuran-2-yl)ethanamine with MolForge

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Related Compounds

1-(3-methyl-1-benzofuran-2-yl)-N-[2-(oxolan-3-yl)ethyl]ethanamine
CID 104538015
N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 43754997
2-[2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]ethoxy]ethanol
CID 43771437
2-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]prop-2-en-1-amine
CID 104578826
N-methyl-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]ethanesulfonamide
CID 102676059
2,2,2-trifluoro-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]ethanamine
CID 43755050
(1S)-1-(3-methyl-1-benzofuran-2-yl)-N-(pyrimidin-5-ylmethyl)ethanamine
CID 99834293
2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]-N-propylacetamide
CID 43777777
2-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-methylsulfanylpropan-1-amine
CID 63981303
N-ethyl-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]acetamide
CID 43777697
tert-butyl N-[3-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]propyl]carbamate
CID 113261110
N-(2-imidazol-1-ylethyl)-1-(3-methyl-1-benzofuran-2-yl)ethanamine
CID 61325314

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[2-(1,3-dioxolan-2-yl)ethyl]-1-(3-methyl-1-benzofuran-2-yl)ethanamine?
The IUPAC name of (1S)-N-[2-(1,3-dioxolan-2-yl)ethyl]-1-(3-methyl-1-benzofuran-2-yl)ethanamine (CID 124571843) is (1S)-N-[2-(1,3-dioxolan-2-yl)ethyl]-1-(3-methyl-1-benzofuran-2-yl)ethanamine.
What is the SMILES notation for (1S)-N-[2-(1,3-dioxolan-2-yl)ethyl]-1-(3-methyl-1-benzofuran-2-yl)ethanamine?
The canonical SMILES for (1S)-N-[2-(1,3-dioxolan-2-yl)ethyl]-1-(3-methyl-1-benzofuran-2-yl)ethanamine is Cc1c([C@H](C)NCCC2OCCO2)oc2ccccc12.
What is the InChIKey of (1S)-N-[2-(1,3-dioxolan-2-yl)ethyl]-1-(3-methyl-1-benzofuran-2-yl)ethanamine?
The InChIKey is YXFXKVCNTPHEDF-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H21NO3/c1-11-13-5-3-4-6-14(13)20-16(11)12(2)17-8-7-15-18-9-10-19-15/h3-6,12,15,17H,7-10H2,1-2H3/t12-/m0/s1.
What are the key properties of (1S)-N-[2-(1,3-dioxolan-2-yl)ethyl]-1-(3-methyl-1-benzofuran-2-yl)ethanamine?
(1S)-N-[2-(1,3-dioxolan-2-yl)ethyl]-1-(3-methyl-1-benzofuran-2-yl)ethanamine has a molecular weight of 275.35 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[2-(1,3-dioxolan-2-yl)ethyl]-1-(3-methyl-1-benzofuran-2-yl)ethanamine is sourced from PubChem (CID 124571843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).