N-[3,4-dihydro-2H-chromen-8-yl(pyrimidin-2-yl)methyl]propan-1-amine

C17H21N3O — CID 114745074

IUPACN-[3,4-dihydro-2H-chromen-8-yl(pyrimidin-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ncccn1)c1cccc2c1OCCC2
InChIInChI=1S/C17H21N3O/c1-2-9-18-15(17-19-10-5-11-20-17)14-8-3-6-13-7-4-12-21-16(13)14/h3,5-6,8,10-11,15,18H,2,4,7,9,12H2,1H3
InChIKeyXCXJELNAZXDHIL-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.89
Rot. Bonds5

About N-[3,4-dihydro-2H-chromen-8-yl(pyrimidin-2-yl)methyl]propan-1-amine

N-[3,4-dihydro-2H-chromen-8-yl(pyrimidin-2-yl)methyl]propan-1-amine (PubChem CID 114745074) has the molecular formula C17H21N3O and a molecular weight of 283.37 g/mol. Its IUPAC name is N-[3,4-dihydro-2H-chromen-8-yl(pyrimidin-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[3,4-dihydro-2H-chromen-8-yl(pyrimidin-2-yl)methyl]propan-1-amine
PubChem CID114745074
Molecular FormulaC17H21N3O
Molecular Weight283.37 g/mol
Exact Mass283.17
IUPAC NameN-[3,4-dihydro-2H-chromen-8-yl(pyrimidin-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ncccn1)c1cccc2c1OCCC2
InChIInChI=1S/C17H21N3O/c1-2-9-18-15(17-19-10-5-11-20-17)14-8-3-6-13-7-4-12-21-16(13)14/h3,5-6,8,10-11,15,18H,2,4,7,9,12H2,1H3
InChIKeyXCXJELNAZXDHIL-UHFFFAOYSA-N
XLogP2.89
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3,4-dihydro-2H-chromen-8-yl(pyridazin-4-yl)methyl]propan-1-amine
CID 105187275
N-[(5-bromothiophen-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methyl]propan-1-amine
CID 105187326
N-[2,3-dihydro-1-benzofuran-7-yl(pyridin-4-yl)methyl]propan-1-amine
CID 114744963
N-[cyclopentyl(3,4-dihydro-2H-chromen-8-yl)methyl]propan-1-amine
CID 114745087
1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-pyrimidin-2-ylmethanamine
CID 114745069
1-(3,4-dihydro-2H-chromen-8-yl)-2-methyl-N-propylbutan-1-amine
CID 114745351
3,4-dihydro-2H-chromen-8-yl(pyrimidin-2-yl)methanamine
CID 114744922
1-(3,4-dihydro-2H-chromen-8-yl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 114745113
N-[3,4-dihydro-2H-chromen-8-yl(1H-1,2,4-triazol-5-yl)methyl]ethanamine
CID 114745552
N-[2,3-dihydro-1-benzofuran-7-yl-(5-fluoro-2-pyridinyl)methyl]propan-1-amine
CID 114745818
N-[(4-bromophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]propan-1-amine
CID 114744925
N-[3,4-dihydro-2H-chromen-8-yl(pyrimidin-5-yl)methyl]ethanamine
CID 102923918

Frequently Asked Questions

What is the IUPAC name of N-[3,4-dihydro-2H-chromen-8-yl(pyrimidin-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[3,4-dihydro-2H-chromen-8-yl(pyrimidin-2-yl)methyl]propan-1-amine (CID 114745074) is N-[3,4-dihydro-2H-chromen-8-yl(pyrimidin-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[3,4-dihydro-2H-chromen-8-yl(pyrimidin-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[3,4-dihydro-2H-chromen-8-yl(pyrimidin-2-yl)methyl]propan-1-amine is CCCNC(c1ncccn1)c1cccc2c1OCCC2.
What is the InChIKey of N-[3,4-dihydro-2H-chromen-8-yl(pyrimidin-2-yl)methyl]propan-1-amine?
The InChIKey is XCXJELNAZXDHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-2-9-18-15(17-19-10-5-11-20-17)14-8-3-6-13-7-4-12-21-16(13)14/h3,5-6,8,10-11,15,18H,2,4,7,9,12H2,1H3.
What are the key properties of N-[3,4-dihydro-2H-chromen-8-yl(pyrimidin-2-yl)methyl]propan-1-amine?
N-[3,4-dihydro-2H-chromen-8-yl(pyrimidin-2-yl)methyl]propan-1-amine has a molecular weight of 283.37 g/mol, XLogP of 2.89, 5 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-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 114745074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).