N-[2-(3,4-dihydro-2H-chromen-4-yl)-1-(2H-triazol-4-yl)ethyl]propan-1-amine

C16H22N4O — CID 104770542

IUPACN-[2-(3,4-dihydro-2H-chromen-4-yl)-1-(2H-triazol-4-yl)ethyl]propan-1-amine
SMILESCCCNC(CC1CCOc2ccccc21)c1cn[nH]n1
InChIInChI=1S/C16H22N4O/c1-2-8-17-14(15-11-18-20-19-15)10-12-7-9-21-16-6-4-3-5-13(12)16/h3-6,11-12,14,17H,2,7-10H2,1H3,(H,18,19,20)
InChIKeyFOSSIVYZBKXSDQ-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.80
Rot. Bonds6

About N-[2-(3,4-dihydro-2H-chromen-4-yl)-1-(2H-triazol-4-yl)ethyl]propan-1-amine

N-[2-(3,4-dihydro-2H-chromen-4-yl)-1-(2H-triazol-4-yl)ethyl]propan-1-amine (PubChem CID 104770542) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[2-(3,4-dihydro-2H-chromen-4-yl)-1-(2H-triazol-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(3,4-dihydro-2H-chromen-4-yl)-1-(2H-triazol-4-yl)ethyl]propan-1-amine
PubChem CID104770542
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-[2-(3,4-dihydro-2H-chromen-4-yl)-1-(2H-triazol-4-yl)ethyl]propan-1-amine
SMILESCCCNC(CC1CCOc2ccccc21)c1cn[nH]n1
InChIInChI=1S/C16H22N4O/c1-2-8-17-14(15-11-18-20-19-15)10-12-7-9-21-16-6-4-3-5-13(12)16/h3-6,11-12,14,17H,2,7-10H2,1H3,(H,18,19,20)
InChIKeyFOSSIVYZBKXSDQ-UHFFFAOYSA-N
XLogP2.80
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dihydro-2H-chromen-4-yl)-N-propylbutan-2-amine
CID 113451314
1-(3,4-dihydro-2H-chromen-4-yl)-3-ethyl-N-propylpentan-2-amine
CID 105034374
2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-pyrazin-2-ylethanamine
CID 104770198
1-(3,4-dihydro-2H-chromen-4-yl)-3-methoxy-N-propylpentan-2-amine
CID 116715910
1-(3,4-dihydro-2H-chromen-4-yl)-N-methylbutan-2-amine
CID 104770168
2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-(furan-3-yl)ethanamine
CID 104770367
5-(3,4-dihydro-2H-chromen-4-yl)-4,4-dimethyl-N-propylpentan-2-amine
CID 104771905
1-(3,4-dihydro-2H-chromen-4-yl)-N-ethylpentan-2-amine
CID 104770187
2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-pyridin-2-ylethanamine
CID 104770144
1-cyclopropyl-4-(3,4-dihydro-2H-chromen-4-yl)-N-propylbutan-1-amine
CID 104771883
2-(3,4-dihydro-2H-chromen-4-yl)-1-(1H-imidazol-2-yl)-N-methylethanamine
CID 104770523
2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-(5-methylpyrimidin-2-yl)ethanamine
CID 104770575

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydro-2H-chromen-4-yl)-1-(2H-triazol-4-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(3,4-dihydro-2H-chromen-4-yl)-1-(2H-triazol-4-yl)ethyl]propan-1-amine (CID 104770542) is N-[2-(3,4-dihydro-2H-chromen-4-yl)-1-(2H-triazol-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(3,4-dihydro-2H-chromen-4-yl)-1-(2H-triazol-4-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(3,4-dihydro-2H-chromen-4-yl)-1-(2H-triazol-4-yl)ethyl]propan-1-amine is CCCNC(CC1CCOc2ccccc21)c1cn[nH]n1.
What is the InChIKey of N-[2-(3,4-dihydro-2H-chromen-4-yl)-1-(2H-triazol-4-yl)ethyl]propan-1-amine?
The InChIKey is FOSSIVYZBKXSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-2-8-17-14(15-11-18-20-19-15)10-12-7-9-21-16-6-4-3-5-13(12)16/h3-6,11-12,14,17H,2,7-10H2,1H3,(H,18,19,20).
What are the key properties of N-[2-(3,4-dihydro-2H-chromen-4-yl)-1-(2H-triazol-4-yl)ethyl]propan-1-amine?
N-[2-(3,4-dihydro-2H-chromen-4-yl)-1-(2H-triazol-4-yl)ethyl]propan-1-amine has a molecular weight of 286.38 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydro-2H-chromen-4-yl)-1-(2H-triazol-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 104770542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).