1-(3,4-dihydro-2H-chromen-8-yl)-N-methyl-2-pyridin-4-ylethanamine

C17H20N2O — CID 114745237

IUPAC1-(3,4-dihydro-2H-chromen-8-yl)-N-methyl-2-pyridin-4-ylethanamine
SMILESCNC(Cc1ccncc1)c1cccc2c1OCCC2
InChIInChI=1S/C17H20N2O/c1-18-16(12-13-7-9-19-10-8-13)15-6-2-4-14-5-3-11-20-17(14)15/h2,4,6-10,16,18H,3,5,11-12H2,1H3
InChIKeyYTWZLXNUTAPLAZ-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.91
Rot. Bonds4

About 1-(3,4-dihydro-2H-chromen-8-yl)-N-methyl-2-pyridin-4-ylethanamine

1-(3,4-dihydro-2H-chromen-8-yl)-N-methyl-2-pyridin-4-ylethanamine (PubChem CID 114745237) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-8-yl)-N-methyl-2-pyridin-4-ylethanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-8-yl)-N-methyl-2-pyridin-4-ylethanamine
PubChem CID114745237
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name1-(3,4-dihydro-2H-chromen-8-yl)-N-methyl-2-pyridin-4-ylethanamine
SMILESCNC(Cc1ccncc1)c1cccc2c1OCCC2
InChIInChI=1S/C17H20N2O/c1-18-16(12-13-7-9-19-10-8-13)15-6-2-4-14-5-3-11-20-17(14)15/h2,4,6-10,16,18H,3,5,11-12H2,1H3
InChIKeyYTWZLXNUTAPLAZ-UHFFFAOYSA-N
XLogP2.91
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3,4-dihydro-2H-chromen-8-yl)-2-pyridin-4-ylethyl]hydrazine
CID 105212546
1-(3,4-dihydro-2H-chromen-8-yl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 114745216
2-(4-bromophenyl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylethanamine
CID 114744945
1-(3,4-dihydro-2H-chromen-8-yl)-N-methylbutan-1-amine
CID 114745045
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)-2-(4-fluorophenyl)ethyl]hydrazine
CID 105198432
3-cyclohexyl-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylpropan-1-amine
CID 105049036
[1-(2,3-dihydro-1-benzofuran-7-yl)-3-pyridin-4-ylpropyl]hydrazine
CID 105341898
1-(3,4-dihydro-2H-chromen-8-yl)-N-ethyl-2-thiophen-3-ylethanamine
CID 105187245
1-(3,4-dihydro-2H-chromen-8-yl)-N,2,2-trimethylpropan-1-amine
CID 114745059
[1-(3,4-dihydro-2H-chromen-8-yl)-2-methylsulfanylethyl]hydrazine
CID 105214067
2-(2-bromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine
CID 114745282

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-8-yl)-N-methyl-2-pyridin-4-ylethanamine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-8-yl)-N-methyl-2-pyridin-4-ylethanamine (CID 114745237) is 1-(3,4-dihydro-2H-chromen-8-yl)-N-methyl-2-pyridin-4-ylethanamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-8-yl)-N-methyl-2-pyridin-4-ylethanamine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-8-yl)-N-methyl-2-pyridin-4-ylethanamine is CNC(Cc1ccncc1)c1cccc2c1OCCC2.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-8-yl)-N-methyl-2-pyridin-4-ylethanamine?
The InChIKey is YTWZLXNUTAPLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-18-16(12-13-7-9-19-10-8-13)15-6-2-4-14-5-3-11-20-17(14)15/h2,4,6-10,16,18H,3,5,11-12H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-8-yl)-N-methyl-2-pyridin-4-ylethanamine?
1-(3,4-dihydro-2H-chromen-8-yl)-N-methyl-2-pyridin-4-ylethanamine has a molecular weight of 268.36 g/mol, XLogP of 2.91, 4 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)-N-methyl-2-pyridin-4-ylethanamine is sourced from PubChem (CID 114745237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).