6,8-dichloro-N-(1-methoxypropan-2-yl)-3,4-dihydro-2H-chromen-4-amine

C13H17Cl2NO2 — CID 43758423

IUPAC6,8-dichloro-N-(1-methoxypropan-2-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESCOCC(C)NC1CCOc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C13H17Cl2NO2/c1-8(7-17-2)16-12-3-4-18-13-10(12)5-9(14)6-11(13)15/h5-6,8,12,16H,3-4,7H2,1-2H3
InChIKeyNRHCREHXEZDGNU-UHFFFAOYSA-N
MW290.19 g/mol
LogP3.44
Rot. Bonds4

About 6,8-dichloro-N-(1-methoxypropan-2-yl)-3,4-dihydro-2H-chromen-4-amine

6,8-dichloro-N-(1-methoxypropan-2-yl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 43758423) has the molecular formula C13H17Cl2NO2 and a molecular weight of 290.19 g/mol. Its IUPAC name is 6,8-dichloro-N-(1-methoxypropan-2-yl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6,8-dichloro-N-(1-methoxypropan-2-yl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID43758423
Molecular FormulaC13H17Cl2NO2
Molecular Weight290.19 g/mol
Exact Mass289.06
IUPAC Name6,8-dichloro-N-(1-methoxypropan-2-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESCOCC(C)NC1CCOc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C13H17Cl2NO2/c1-8(7-17-2)16-12-3-4-18-13-10(12)5-9(14)6-11(13)15/h5-6,8,12,16H,3-4,7H2,1-2H3
InChIKeyNRHCREHXEZDGNU-UHFFFAOYSA-N
XLogP3.44
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

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Related Compounds

6,8-dichloro-N-(6-methylheptan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 43769266
6,8-dichloro-N-(2-methylpentan-3-yl)-3,4-dihydro-2H-chromen-4-amine
CID 63456363
6,8-dichloro-N-(3-methoxypropyl)-3,4-dihydro-2H-chromen-4-amine
CID 43769607
2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-N,N-dimethylpropanamide
CID 43778180
6,8-dichloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-3,4-dihydro-2H-chromen-4-amine
CID 43783005
8-chloro-6-fluoro-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 60970604
2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-N-(2-methoxyethyl)acetamide
CID 115708014
4-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-3-methylbutan-1-ol
CID 66089429
6-bromo-N-(1-methoxypropan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 43758418
N'-(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)ethane-1,2-diamine
CID 60888947
methyl 2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-2-methylpropanoate
CID 43787215
2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-2-ethylpropane-1,3-diol
CID 103935764

Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-N-(1-methoxypropan-2-yl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6,8-dichloro-N-(1-methoxypropan-2-yl)-3,4-dihydro-2H-chromen-4-amine (CID 43758423) is 6,8-dichloro-N-(1-methoxypropan-2-yl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6,8-dichloro-N-(1-methoxypropan-2-yl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6,8-dichloro-N-(1-methoxypropan-2-yl)-3,4-dihydro-2H-chromen-4-amine is COCC(C)NC1CCOc2c(Cl)cc(Cl)cc21.
What is the InChIKey of 6,8-dichloro-N-(1-methoxypropan-2-yl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is NRHCREHXEZDGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO2/c1-8(7-17-2)16-12-3-4-18-13-10(12)5-9(14)6-11(13)15/h5-6,8,12,16H,3-4,7H2,1-2H3.
What are the key properties of 6,8-dichloro-N-(1-methoxypropan-2-yl)-3,4-dihydro-2H-chromen-4-amine?
6,8-dichloro-N-(1-methoxypropan-2-yl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 290.19 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-N-(1-methoxypropan-2-yl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 43758423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).