1-(3,4-dihydro-2H-chromen-8-yl)-2-ethoxy-N,2-dimethylpropan-1-amine

C16H25NO2 — CID 114746243

IUPAC1-(3,4-dihydro-2H-chromen-8-yl)-2-ethoxy-N,2-dimethylpropan-1-amine
SMILESCCOC(C)(C)C(NC)c1cccc2c1OCCC2
InChIInChI=1S/C16H25NO2/c1-5-19-16(2,3)15(17-4)13-10-6-8-12-9-7-11-18-14(12)13/h6,8,10,15,17H,5,7,9,11H2,1-4H3
InChIKeyOXKREABYTLITBM-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.09
Rot. Bonds5

About 1-(3,4-dihydro-2H-chromen-8-yl)-2-ethoxy-N,2-dimethylpropan-1-amine

1-(3,4-dihydro-2H-chromen-8-yl)-2-ethoxy-N,2-dimethylpropan-1-amine (PubChem CID 114746243) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-8-yl)-2-ethoxy-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-8-yl)-2-ethoxy-N,2-dimethylpropan-1-amine
PubChem CID114746243
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-(3,4-dihydro-2H-chromen-8-yl)-2-ethoxy-N,2-dimethylpropan-1-amine
SMILESCCOC(C)(C)C(NC)c1cccc2c1OCCC2
InChIInChI=1S/C16H25NO2/c1-5-19-16(2,3)15(17-4)13-10-6-8-12-9-7-11-18-14(12)13/h6,8,10,15,17H,5,7,9,11H2,1-4H3
InChIKeyOXKREABYTLITBM-UHFFFAOYSA-N
XLogP3.09
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-2H-chromen-8-yl)-N,2,2-trimethylpropan-1-amine
CID 114745059
1-(3,4-dihydro-2H-chromen-8-yl)-N,2-diethyl-2-methoxybutan-1-amine
CID 114746271
1-(3,4-dihydro-2H-chromen-8-yl)-N-methylbutan-1-amine
CID 114745045
1-(3,4-dihydro-2H-chromen-8-yl)-2-methoxy-2-methyl-N-propylbutan-1-amine
CID 114746254
1-(3,4-dihydro-2H-chromen-8-yl)-2-methoxy-2-methylbutan-1-amine
CID 114746248
1-(3,4-dihydro-2H-chromen-8-yl)-1-(1-methoxycyclobutyl)-N-methylmethanamine
CID 114746173
1-(3,4-dihydro-2H-chromen-8-yl)-2-methylbutan-1-ol
CID 114743364
3-cyclohexyl-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylpropan-1-amine
CID 105049036
1-(3,4-dihydro-2H-chromen-8-yl)-N-ethyl-2-methylpropan-1-amine
CID 114745005
1-(3,4-dihydro-2H-chromen-8-yl)-2-(1,3-dioxolan-2-yl)-N-methylethanamine
CID 103547239
1-(3,4-dihydro-2H-chromen-8-yl)butane-1,2-diol
CID 103454473
[1-(2,3-dihydro-1-benzofuran-7-yl)-2,2-dimethylbutyl]hydrazine
CID 105341923

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-8-yl)-2-ethoxy-N,2-dimethylpropan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-8-yl)-2-ethoxy-N,2-dimethylpropan-1-amine (CID 114746243) is 1-(3,4-dihydro-2H-chromen-8-yl)-2-ethoxy-N,2-dimethylpropan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-8-yl)-2-ethoxy-N,2-dimethylpropan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-8-yl)-2-ethoxy-N,2-dimethylpropan-1-amine is CCOC(C)(C)C(NC)c1cccc2c1OCCC2.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-8-yl)-2-ethoxy-N,2-dimethylpropan-1-amine?
The InChIKey is OXKREABYTLITBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-5-19-16(2,3)15(17-4)13-10-6-8-12-9-7-11-18-14(12)13/h6,8,10,15,17H,5,7,9,11H2,1-4H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-8-yl)-2-ethoxy-N,2-dimethylpropan-1-amine?
1-(3,4-dihydro-2H-chromen-8-yl)-2-ethoxy-N,2-dimethylpropan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-8-yl)-2-ethoxy-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 114746243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).