1-(3,4-dihydro-2H-chromen-4-yl)-3-(1-methylimidazol-2-yl)propan-1-amine

C16H21N3O — CID 114530339

IUPAC1-(3,4-dihydro-2H-chromen-4-yl)-3-(1-methylimidazol-2-yl)propan-1-amine
SMILESCn1ccnc1CCC(N)C1CCOc2ccccc21
InChIInChI=1S/C16H21N3O/c1-19-10-9-18-16(19)7-6-14(17)12-8-11-20-15-5-3-2-4-13(12)15/h2-5,9-10,12,14H,6-8,11,17H2,1H3
InChIKeyNVICOVODWUFWNM-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.25
Rot. Bonds4

About 1-(3,4-dihydro-2H-chromen-4-yl)-3-(1-methylimidazol-2-yl)propan-1-amine

1-(3,4-dihydro-2H-chromen-4-yl)-3-(1-methylimidazol-2-yl)propan-1-amine (PubChem CID 114530339) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-4-yl)-3-(1-methylimidazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-4-yl)-3-(1-methylimidazol-2-yl)propan-1-amine
PubChem CID114530339
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-(3,4-dihydro-2H-chromen-4-yl)-3-(1-methylimidazol-2-yl)propan-1-amine
SMILESCn1ccnc1CCC(N)C1CCOc2ccccc21
InChIInChI=1S/C16H21N3O/c1-19-10-9-18-16(19)7-6-14(17)12-8-11-20-15-5-3-2-4-13(12)15/h2-5,9-10,12,14H,6-8,11,17H2,1H3
InChIKeyNVICOVODWUFWNM-UHFFFAOYSA-N
XLogP2.25
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1H-inden-2-yl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114530343
1-cyclopentyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114530015
1-(3,4-dihydro-2H-chromen-4-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 115618961
1-(3,4-dihydro-2H-chromen-4-yl)-4-methoxy-4-methylpentan-1-amine
CID 103032406
1-(7-bicyclo[4.1.0]heptanyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 105050153
2-(3,4-dihydro-2H-chromen-4-yl)-1-(1-methylimidazol-2-yl)ethanol
CID 104770067
3-(1-methylimidazol-2-yl)-1-phenylpropan-1-amine
CID 64503955
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 105130946
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 79761477
1-(3,4-dihydro-2H-chromen-4-yl)-1-(1-ethylimidazol-2-yl)-N-methylmethanamine
CID 65410669
1-(3,4-dihydro-2H-chromen-4-yl)-2-methylpentan-1-amine
CID 107893468
[1-(2,3-dihydro-1-benzothiophen-3-yl)-3-(1-methylimidazol-2-yl)propyl]hydrazine
CID 105340338

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-3-(1-methylimidazol-2-yl)propan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-3-(1-methylimidazol-2-yl)propan-1-amine (CID 114530339) is 1-(3,4-dihydro-2H-chromen-4-yl)-3-(1-methylimidazol-2-yl)propan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-4-yl)-3-(1-methylimidazol-2-yl)propan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-4-yl)-3-(1-methylimidazol-2-yl)propan-1-amine is Cn1ccnc1CCC(N)C1CCOc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-4-yl)-3-(1-methylimidazol-2-yl)propan-1-amine?
The InChIKey is NVICOVODWUFWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-19-10-9-18-16(19)7-6-14(17)12-8-11-20-15-5-3-2-4-13(12)15/h2-5,9-10,12,14H,6-8,11,17H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-4-yl)-3-(1-methylimidazol-2-yl)propan-1-amine?
1-(3,4-dihydro-2H-chromen-4-yl)-3-(1-methylimidazol-2-yl)propan-1-amine has a molecular weight of 271.36 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-4-yl)-3-(1-methylimidazol-2-yl)propan-1-amine is sourced from PubChem (CID 114530339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).