6,8-dichloro-N-(3-methoxypropyl)-3,4-dihydro-2H-chromen-4-amine

C13H17Cl2NO2 — CID 43769607

IUPAC6,8-dichloro-N-(3-methoxypropyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCOCCCNC1CCOc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C13H17Cl2NO2/c1-17-5-2-4-16-12-3-6-18-13-10(12)7-9(14)8-11(13)15/h7-8,12,16H,2-6H2,1H3
InChIKeyGBEWEDPTGZGYSL-UHFFFAOYSA-N
MW290.19 g/mol
LogP3.44
Rot. Bonds5

About 6,8-dichloro-N-(3-methoxypropyl)-3,4-dihydro-2H-chromen-4-amine

6,8-dichloro-N-(3-methoxypropyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 43769607) has the molecular formula C13H17Cl2NO2 and a molecular weight of 290.19 g/mol. Its IUPAC name is 6,8-dichloro-N-(3-methoxypropyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6,8-dichloro-N-(3-methoxypropyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID43769607
Molecular FormulaC13H17Cl2NO2
Molecular Weight290.19 g/mol
Exact Mass289.06
IUPAC Name6,8-dichloro-N-(3-methoxypropyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCOCCCNC1CCOc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C13H17Cl2NO2/c1-17-5-2-4-16-12-3-6-18-13-10(12)7-9(14)8-11(13)15/h7-8,12,16H,2-6H2,1H3
InChIKeyGBEWEDPTGZGYSL-UHFFFAOYSA-N
XLogP3.44
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-N-(2-methoxyethyl)acetamide
CID 115708014
N'-(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)ethane-1,2-diamine
CID 60888947
4-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]butanoic acid
CID 60782781
6,8-dichloro-N-(1-methoxypropan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 43758423
2-[2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]ethoxy]acetamide
CID 106235366
(4R)-N-(3-methoxypropyl)-3,4-dihydro-2H-chromen-4-amine
CID 7287154
6,8-dichloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-3,4-dihydro-2H-chromen-4-amine
CID 64548316
6,8-dichloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3,4-dihydro-2H-chromen-4-amine
CID 106395863
6,8-dichloro-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 43769334
4-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-3-methylbutan-1-ol
CID 66089429
6,8-dichloro-N-(1H-pyrazol-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 54897442
6,8-dichloro-N-[(5-methylpyrazin-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 62846074

Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-N-(3-methoxypropyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6,8-dichloro-N-(3-methoxypropyl)-3,4-dihydro-2H-chromen-4-amine (CID 43769607) is 6,8-dichloro-N-(3-methoxypropyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6,8-dichloro-N-(3-methoxypropyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6,8-dichloro-N-(3-methoxypropyl)-3,4-dihydro-2H-chromen-4-amine is COCCCNC1CCOc2c(Cl)cc(Cl)cc21.
What is the InChIKey of 6,8-dichloro-N-(3-methoxypropyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is GBEWEDPTGZGYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO2/c1-17-5-2-4-16-12-3-6-18-13-10(12)7-9(14)8-11(13)15/h7-8,12,16H,2-6H2,1H3.
What are the key properties of 6,8-dichloro-N-(3-methoxypropyl)-3,4-dihydro-2H-chromen-4-amine?
6,8-dichloro-N-(3-methoxypropyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 290.19 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-N-(3-methoxypropyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 43769607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).