N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methoxybutan-2-amine

C15H23NO3 — CID 115706288

IUPACN-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methoxybutan-2-amine
SMILESCOC(C)C(C)NCCc1ccc2c(c1)OCCO2
InChIInChI=1S/C15H23NO3/c1-11(12(2)17-3)16-7-6-13-4-5-14-15(10-13)19-9-8-18-14/h4-5,10-12,16H,6-9H2,1-3H3
InChIKeyLTXKUJHNIUGKNI-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.01
Rot. Bonds6

About N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methoxybutan-2-amine

N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methoxybutan-2-amine (PubChem CID 115706288) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methoxybutan-2-amine.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methoxybutan-2-amine
PubChem CID115706288
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methoxybutan-2-amine
SMILESCOC(C)C(C)NCCc1ccc2c(c1)OCCO2
InChIInChI=1S/C15H23NO3/c1-11(12(2)17-3)16-7-6-13-4-5-14-15(10-13)19-9-8-18-14/h4-5,10-12,16H,6-9H2,1-3H3
InChIKeyLTXKUJHNIUGKNI-UHFFFAOYSA-N
XLogP2.01
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methoxybutan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 115206548
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(2-methylphenyl)ethanamine
CID 43824553
3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]pentanenitrile
CID 43368462
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]propan-2-ol
CID 60884759
3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-N'-hydroxybutanimidamide
CID 77025598
3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-methyl-3-oxopropanoic acid
CID 114897255
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methylpentan-1-amine
CID 43093927
methyl 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]propanoate
CID 43242662
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(furan-2-yl)propan-1-amine
CID 62633572
N'-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]methanediamine
CID 115226007
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethyl-N-propan-2-ylbutan-1-amine
CID 65308436
2-(carbamoylamino)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methylbutanamide
CID 42908832

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methoxybutan-2-amine?
The IUPAC name of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methoxybutan-2-amine (CID 115706288) is N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methoxybutan-2-amine.
What is the SMILES notation for N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methoxybutan-2-amine?
The canonical SMILES for N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methoxybutan-2-amine is COC(C)C(C)NCCc1ccc2c(c1)OCCO2.
What is the InChIKey of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methoxybutan-2-amine?
The InChIKey is LTXKUJHNIUGKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11(12(2)17-3)16-7-6-13-4-5-14-15(10-13)19-9-8-18-14/h4-5,10-12,16H,6-9H2,1-3H3.
What are the key properties of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methoxybutan-2-amine?
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methoxybutan-2-amine has a molecular weight of 265.35 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methoxybutan-2-amine is sourced from PubChem (CID 115706288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).