3-(3,4-dihydro-2H-chromen-4-yl)-1,1-diethoxy-N-methylpropan-2-amine

C17H27NO3 — CID 104770492

IUPAC3-(3,4-dihydro-2H-chromen-4-yl)-1,1-diethoxy-N-methylpropan-2-amine
SMILESCCOC(OCC)C(CC1CCOc2ccccc21)NC
InChIInChI=1S/C17H27NO3/c1-4-19-17(20-5-2)15(18-3)12-13-10-11-21-16-9-7-6-8-14(13)16/h6-9,13,15,17-18H,4-5,10-12H2,1-3H3
InChIKeyPFYAVULOEMBBGL-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.93
Rot. Bonds8

About 3-(3,4-dihydro-2H-chromen-4-yl)-1,1-diethoxy-N-methylpropan-2-amine

3-(3,4-dihydro-2H-chromen-4-yl)-1,1-diethoxy-N-methylpropan-2-amine (PubChem CID 104770492) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-chromen-4-yl)-1,1-diethoxy-N-methylpropan-2-amine.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-chromen-4-yl)-1,1-diethoxy-N-methylpropan-2-amine
PubChem CID104770492
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name3-(3,4-dihydro-2H-chromen-4-yl)-1,1-diethoxy-N-methylpropan-2-amine
SMILESCCOC(OCC)C(CC1CCOc2ccccc21)NC
InChIInChI=1S/C17H27NO3/c1-4-19-17(20-5-2)15(18-3)12-13-10-11-21-16-9-7-6-8-14(13)16/h6-9,13,15,17-18H,4-5,10-12H2,1-3H3
InChIKeyPFYAVULOEMBBGL-UHFFFAOYSA-N
XLogP2.93
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-(3,4-dihydro-2H-chromen-4-yl)-1,1-diethoxypropan-2-ol
CID 104770040
3-(3,4-dihydro-2H-chromen-4-yl)-1,1-difluoro-N-methylpropan-2-amine
CID 103517069
[1-cyclopropyl-3-(3,4-dihydro-2H-chromen-4-yl)-1-ethoxypropan-2-yl]hydrazine
CID 105273285
1-(3,4-dihydro-2H-chromen-4-yl)-N-methylbutan-2-amine
CID 104770168
1-(3,4-dihydro-2H-chromen-4-yl)-N,3-diethylpentan-2-amine
CID 105034256
1-(3,4-dihydro-2H-chromen-4-yl)-3-ethyl-N-propylpentan-2-amine
CID 105034374
1-(3,4-dihydro-2H-chromen-4-yl)-4,4,4-trifluoro-N-methylbutan-2-amine
CID 104770235
1-cyclobutyl-3-(3,4-dihydro-2H-chromen-4-yl)-N-methylpropan-2-amine
CID 103169448
ethane;4-ethyl-3,4-dihydro-2H-chromene
CID 169111717
1-(3,4-dihydro-2H-chromen-4-yl)-3-methoxy-N-propylpentan-2-amine
CID 116715910
[3-(3,4-dihydro-2H-chromen-4-yl)-1,1-difluoropropan-2-yl]hydrazine
CID 105265294
1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine;hydrochloride
CID 165145525

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-chromen-4-yl)-1,1-diethoxy-N-methylpropan-2-amine?
The IUPAC name of 3-(3,4-dihydro-2H-chromen-4-yl)-1,1-diethoxy-N-methylpropan-2-amine (CID 104770492) is 3-(3,4-dihydro-2H-chromen-4-yl)-1,1-diethoxy-N-methylpropan-2-amine.
What is the SMILES notation for 3-(3,4-dihydro-2H-chromen-4-yl)-1,1-diethoxy-N-methylpropan-2-amine?
The canonical SMILES for 3-(3,4-dihydro-2H-chromen-4-yl)-1,1-diethoxy-N-methylpropan-2-amine is CCOC(OCC)C(CC1CCOc2ccccc21)NC.
What is the InChIKey of 3-(3,4-dihydro-2H-chromen-4-yl)-1,1-diethoxy-N-methylpropan-2-amine?
The InChIKey is PFYAVULOEMBBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-4-19-17(20-5-2)15(18-3)12-13-10-11-21-16-9-7-6-8-14(13)16/h6-9,13,15,17-18H,4-5,10-12H2,1-3H3.
What are the key properties of 3-(3,4-dihydro-2H-chromen-4-yl)-1,1-diethoxy-N-methylpropan-2-amine?
3-(3,4-dihydro-2H-chromen-4-yl)-1,1-diethoxy-N-methylpropan-2-amine has a molecular weight of 293.41 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-chromen-4-yl)-1,1-diethoxy-N-methylpropan-2-amine is sourced from PubChem (CID 104770492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).