N-[3,4-dihydro-2H-chromen-8-yl(pyrimidin-5-yl)methyl]ethanamine

C16H19N3O — CID 102923918

IUPACN-[3,4-dihydro-2H-chromen-8-yl(pyrimidin-5-yl)methyl]ethanamine
SMILESCCNC(c1cncnc1)c1cccc2c1OCCC2
InChIInChI=1S/C16H19N3O/c1-2-19-15(13-9-17-11-18-10-13)14-7-3-5-12-6-4-8-20-16(12)14/h3,5,7,9-11,15,19H,2,4,6,8H2,1H3
InChIKeyOBTWFDLLPQDIBT-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.50
Rot. Bonds4

About N-[3,4-dihydro-2H-chromen-8-yl(pyrimidin-5-yl)methyl]ethanamine

N-[3,4-dihydro-2H-chromen-8-yl(pyrimidin-5-yl)methyl]ethanamine (PubChem CID 102923918) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-[3,4-dihydro-2H-chromen-8-yl(pyrimidin-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[3,4-dihydro-2H-chromen-8-yl(pyrimidin-5-yl)methyl]ethanamine
PubChem CID102923918
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-[3,4-dihydro-2H-chromen-8-yl(pyrimidin-5-yl)methyl]ethanamine
SMILESCCNC(c1cncnc1)c1cccc2c1OCCC2
InChIInChI=1S/C16H19N3O/c1-2-19-15(13-9-17-11-18-10-13)14-7-3-5-12-6-4-8-20-16(12)14/h3,5,7,9-11,15,19H,2,4,6,8H2,1H3
InChIKeyOBTWFDLLPQDIBT-UHFFFAOYSA-N
XLogP2.50
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2,3-dihydro-1-benzofuran-7-yl(pyrimidin-5-yl)methyl]ethanamine
CID 102923948
N-[3,4-dihydro-2H-chromen-8-yl-(4-methylphenyl)methyl]ethanamine
CID 114744929
N-[3,4-dihydro-2H-chromen-8-yl-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 114745509
N-[3,4-dihydro-2H-chromen-8-yl(thiophen-3-yl)methyl]ethanamine
CID 114744967
N-[3,4-dihydro-2H-chromen-8-yl(1H-1,2,4-triazol-5-yl)methyl]ethanamine
CID 114745552
N-[(4-bromophenyl)-(3,4-dihydro-2H-chromen-8-yl)methyl]ethanamine
CID 114744924
N-[3,4-dihydro-2H-chromen-8-yl(furan-2-yl)methyl]ethanamine
CID 114745255
N-[3,4-dihydro-2H-chromen-8-yl(pyridazin-4-yl)methyl]propan-1-amine
CID 105187275
1-(3,4-dihydro-2H-chromen-8-yl)-N-ethyl-2-methylpropan-1-amine
CID 114745005
N-[(5-bromothiophen-2-yl)-(3,4-dihydro-2H-chromen-8-yl)methyl]ethanamine
CID 114745403
N-[2,3-dihydro-1-benzofuran-7-yl-(3,5-dimethylphenyl)methyl]ethanamine
CID 105053520
N-[2,3-dihydro-1-benzofuran-7-yl(1,3-thiazol-5-yl)methyl]ethanamine
CID 114745900

Frequently Asked Questions

What is the IUPAC name of N-[3,4-dihydro-2H-chromen-8-yl(pyrimidin-5-yl)methyl]ethanamine?
The IUPAC name of N-[3,4-dihydro-2H-chromen-8-yl(pyrimidin-5-yl)methyl]ethanamine (CID 102923918) is N-[3,4-dihydro-2H-chromen-8-yl(pyrimidin-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[3,4-dihydro-2H-chromen-8-yl(pyrimidin-5-yl)methyl]ethanamine?
The canonical SMILES for N-[3,4-dihydro-2H-chromen-8-yl(pyrimidin-5-yl)methyl]ethanamine is CCNC(c1cncnc1)c1cccc2c1OCCC2.
What is the InChIKey of N-[3,4-dihydro-2H-chromen-8-yl(pyrimidin-5-yl)methyl]ethanamine?
The InChIKey is OBTWFDLLPQDIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-2-19-15(13-9-17-11-18-10-13)14-7-3-5-12-6-4-8-20-16(12)14/h3,5,7,9-11,15,19H,2,4,6,8H2,1H3.
What are the key properties of N-[3,4-dihydro-2H-chromen-8-yl(pyrimidin-5-yl)methyl]ethanamine?
N-[3,4-dihydro-2H-chromen-8-yl(pyrimidin-5-yl)methyl]ethanamine has a molecular weight of 269.35 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,4-dihydro-2H-chromen-8-yl(pyrimidin-5-yl)methyl]ethanamine is sourced from PubChem (CID 102923918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).