N-[[2-(3,4-dihydro-2H-chromen-3-yl)-1H-imidazol-5-yl]methyl]propan-2-amine

C16H21N3O — CID 65405457

IUPACN-[[2-(3,4-dihydro-2H-chromen-3-yl)-1H-imidazol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cnc(C2COc3ccccc3C2)[nH]1
InChIInChI=1S/C16H21N3O/c1-11(2)17-8-14-9-18-16(19-14)13-7-12-5-3-4-6-15(12)20-10-13/h3-6,9,11,13,17H,7-8,10H2,1-2H3,(H,18,19)
InChIKeyNVMCLWIESPTQCB-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.63
Rot. Bonds4

About N-[[2-(3,4-dihydro-2H-chromen-3-yl)-1H-imidazol-5-yl]methyl]propan-2-amine

N-[[2-(3,4-dihydro-2H-chromen-3-yl)-1H-imidazol-5-yl]methyl]propan-2-amine (PubChem CID 65405457) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[[2-(3,4-dihydro-2H-chromen-3-yl)-1H-imidazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(3,4-dihydro-2H-chromen-3-yl)-1H-imidazol-5-yl]methyl]propan-2-amine
PubChem CID65405457
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-[[2-(3,4-dihydro-2H-chromen-3-yl)-1H-imidazol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cnc(C2COc3ccccc3C2)[nH]1
InChIInChI=1S/C16H21N3O/c1-11(2)17-8-14-9-18-16(19-14)13-7-12-5-3-4-6-15(12)20-10-13/h3-6,9,11,13,17H,7-8,10H2,1-2H3,(H,18,19)
InChIKeyNVMCLWIESPTQCB-UHFFFAOYSA-N
XLogP2.63
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,4-dihydro-2H-chromen-3-yl)-1H-imidazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(3,4-dihydro-2H-chromen-3-yl)-1H-imidazol-5-yl]methyl]propan-2-amine (CID 65405457) is N-[[2-(3,4-dihydro-2H-chromen-3-yl)-1H-imidazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(3,4-dihydro-2H-chromen-3-yl)-1H-imidazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(3,4-dihydro-2H-chromen-3-yl)-1H-imidazol-5-yl]methyl]propan-2-amine is CC(C)NCc1cnc(C2COc3ccccc3C2)[nH]1.
What is the InChIKey of N-[[2-(3,4-dihydro-2H-chromen-3-yl)-1H-imidazol-5-yl]methyl]propan-2-amine?
The InChIKey is NVMCLWIESPTQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11(2)17-8-14-9-18-16(19-14)13-7-12-5-3-4-6-15(12)20-10-13/h3-6,9,11,13,17H,7-8,10H2,1-2H3,(H,18,19).
What are the key properties of N-[[2-(3,4-dihydro-2H-chromen-3-yl)-1H-imidazol-5-yl]methyl]propan-2-amine?
N-[[2-(3,4-dihydro-2H-chromen-3-yl)-1H-imidazol-5-yl]methyl]propan-2-amine has a molecular weight of 271.36 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,4-dihydro-2H-chromen-3-yl)-1H-imidazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 65405457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).