N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylsulfinylpropan-1-amine

C14H21NO2S — CID 115896124

IUPACN-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylsulfinylpropan-1-amine
SMILESCC(NCC(C)S(C)=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C14H21NO2S/c1-10(18(3)16)9-15-11(2)12-4-5-14-13(8-12)6-7-17-14/h4-5,8,10-11,15H,6-7,9H2,1-3H3
InChIKeyBIVRIUOKRSTSAV-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.04
Rot. Bonds5

About N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylsulfinylpropan-1-amine

N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylsulfinylpropan-1-amine (PubChem CID 115896124) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylsulfinylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylsulfinylpropan-1-amine
PubChem CID115896124
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC NameN-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylsulfinylpropan-1-amine
SMILESCC(NCC(C)S(C)=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C14H21NO2S/c1-10(18(3)16)9-15-11(2)12-4-5-14-13(8-12)6-7-17-14/h4-5,8,10-11,15H,6-7,9H2,1-3H3
InChIKeyBIVRIUOKRSTSAV-UHFFFAOYSA-N
XLogP2.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-ethylbutan-1-amine
CID 115718022
2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]acetamide
CID 43754741
2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]-N-(2-methylpropyl)acetamide
CID 115900436
N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-3-methylsulfinylbutan-1-amine
CID 115894463
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-methylpentan-2-amine
CID 43775759
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-propan-2-yloxypropan-1-amine
CID 43771401
2-[2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]ethoxy]ethanol
CID 43771488
(1R)-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-(4-methylphenyl)ethanamine
CID 81347474
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopropanamine
CID 43754666
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-methylpropan-1-amine
CID 43756451
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylpentan-3-amine
CID 54954752
2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]propanamide
CID 43777118

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylsulfinylpropan-1-amine?
The IUPAC name of N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylsulfinylpropan-1-amine (CID 115896124) is N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylsulfinylpropan-1-amine.
What is the SMILES notation for N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylsulfinylpropan-1-amine?
The canonical SMILES for N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylsulfinylpropan-1-amine is CC(NCC(C)S(C)=O)c1ccc2c(c1)CCO2.
What is the InChIKey of N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylsulfinylpropan-1-amine?
The InChIKey is BIVRIUOKRSTSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-10(18(3)16)9-15-11(2)12-4-5-14-13(8-12)6-7-17-14/h4-5,8,10-11,15H,6-7,9H2,1-3H3.
What are the key properties of N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylsulfinylpropan-1-amine?
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylsulfinylpropan-1-amine has a molecular weight of 267.39 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylsulfinylpropan-1-amine is sourced from PubChem (CID 115896124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).