6,8-dichloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-3,4-dihydro-2H-chromen-4-amine

C15H14Cl3NOS — CID 43783005

IUPAC6,8-dichloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-3,4-dihydro-2H-chromen-4-amine
SMILESCC(NC1CCOc2c(Cl)cc(Cl)cc21)c1ccc(Cl)s1
InChIInChI=1S/C15H14Cl3NOS/c1-8(13-2-3-14(18)21-13)19-12-4-5-20-15-10(12)6-9(16)7-11(15)17/h2-3,6-8,12,19H,4-5H2,1H3
InChIKeyOCHDZQCUVUKSNW-UHFFFAOYSA-N
MW362.71 g/mol
LogP5.88
Rot. Bonds3

About 6,8-dichloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-3,4-dihydro-2H-chromen-4-amine

6,8-dichloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-3,4-dihydro-2H-chromen-4-amine (PubChem CID 43783005) has the molecular formula C15H14Cl3NOS and a molecular weight of 362.71 g/mol. Its IUPAC name is 6,8-dichloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6,8-dichloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-3,4-dihydro-2H-chromen-4-amine
PubChem CID43783005
Molecular FormulaC15H14Cl3NOS
Molecular Weight362.71 g/mol
Exact Mass360.99
IUPAC Name6,8-dichloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-3,4-dihydro-2H-chromen-4-amine
SMILESCC(NC1CCOc2c(Cl)cc(Cl)cc21)c1ccc(Cl)s1
InChIInChI=1S/C15H14Cl3NOS/c1-8(13-2-3-14(18)21-13)19-12-4-5-20-15-10(12)6-9(16)7-11(15)17/h2-3,6-8,12,19H,4-5H2,1H3
InChIKeyOCHDZQCUVUKSNW-UHFFFAOYSA-N
XLogP5.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.71
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-N,N-dimethylpropanamide
CID 43778180
6,8-dichloro-N-(2-methylpentan-3-yl)-3,4-dihydro-2H-chromen-4-amine
CID 63456363
6,8-dichloro-N-(1-methoxypropan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 43758423
6,8-dichloro-N-(6-methylheptan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 43769266
8-chloro-6-fluoro-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 60970604
6,8-dichloro-N-cyclopent-3-en-1-yl-3,4-dihydro-2H-chromen-4-amine
CID 115728526
6,8-dichloro-N-(2,4-dichlorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43758747
N-[1-(5-chlorothiophen-2-yl)ethyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 115708438
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
3-(4-chlorophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]cyclobutan-1-amine
CID 43692587
N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]cyclobutanamine
CID 130718926

Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6,8-dichloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-3,4-dihydro-2H-chromen-4-amine (CID 43783005) is 6,8-dichloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6,8-dichloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6,8-dichloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-3,4-dihydro-2H-chromen-4-amine is CC(NC1CCOc2c(Cl)cc(Cl)cc21)c1ccc(Cl)s1.
What is the InChIKey of 6,8-dichloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is OCHDZQCUVUKSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl3NOS/c1-8(13-2-3-14(18)21-13)19-12-4-5-20-15-10(12)6-9(16)7-11(15)17/h2-3,6-8,12,19H,4-5H2,1H3.
What are the key properties of 6,8-dichloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-3,4-dihydro-2H-chromen-4-amine?
6,8-dichloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 362.71 g/mol, XLogP of 5.88, 3 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-(5-chlorothiophen-2-yl)ethyl]-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 43783005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).