6-chloro-N-ethyl-2-(2-ethylsulfanylethyl)-3,4-dihydro-2H-chromen-4-amine

C15H22ClNOS — CID 114711322

IUPAC6-chloro-N-ethyl-2-(2-ethylsulfanylethyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCCNC1CC(CCSCC)Oc2ccc(Cl)cc21
InChIInChI=1S/C15H22ClNOS/c1-3-17-14-10-12(7-8-19-4-2)18-15-6-5-11(16)9-13(14)15/h5-6,9,12,14,17H,3-4,7-8,10H2,1-2H3
InChIKeyZAFSZFSQSULZSI-UHFFFAOYSA-N
MW299.87 g/mol
LogP4.28
Rot. Bonds6

About 6-chloro-N-ethyl-2-(2-ethylsulfanylethyl)-3,4-dihydro-2H-chromen-4-amine

6-chloro-N-ethyl-2-(2-ethylsulfanylethyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114711322) has the molecular formula C15H22ClNOS and a molecular weight of 299.87 g/mol. Its IUPAC name is 6-chloro-N-ethyl-2-(2-ethylsulfanylethyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6-chloro-N-ethyl-2-(2-ethylsulfanylethyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID114711322
Molecular FormulaC15H22ClNOS
Molecular Weight299.87 g/mol
Exact Mass299.11
IUPAC Name6-chloro-N-ethyl-2-(2-ethylsulfanylethyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCCNC1CC(CCSCC)Oc2ccc(Cl)cc21
InChIInChI=1S/C15H22ClNOS/c1-3-17-14-10-12(7-8-19-4-2)18-15-6-5-11(16)9-13(14)15/h5-6,9,12,14,17H,3-4,7-8,10H2,1-2H3
InChIKeyZAFSZFSQSULZSI-UHFFFAOYSA-N
XLogP4.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.87
LogP ≤ 54.28
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

6-chloro-N-ethyl-2-(2-methoxy-2-methylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 106676748
(4S)-6-chloro-2-(2-methylsulfanylethyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945167
6-chloro-N-ethyl-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-amine
CID 114711294
6-chloro-N-ethyl-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 114711302
(4R)-6-bromo-2-(2-ethylsulfanylethyl)-3,4-dihydro-2H-chromen-4-ol
CID 104951372
N-ethyl-2-hexyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 114713035
6-bromo-2-(4-chlorophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 114713398
N-ethyl-2-hexyl-3,4-dihydro-2H-chromen-4-amine
CID 114712202
(4R)-6-chloro-2-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 104945006
5-chloro-N,2-diethyl-2,3-dihydro-1-benzofuran-3-amine
CID 64663227
N-ethyl-7-methoxy-2-propyl-3,4-dihydro-2H-chromen-4-amine
CID 114711038
6-bromo-N-ethyl-2-(2-methoxy-2-methylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 106676770

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-ethyl-2-(2-ethylsulfanylethyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6-chloro-N-ethyl-2-(2-ethylsulfanylethyl)-3,4-dihydro-2H-chromen-4-amine (CID 114711322) is 6-chloro-N-ethyl-2-(2-ethylsulfanylethyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6-chloro-N-ethyl-2-(2-ethylsulfanylethyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6-chloro-N-ethyl-2-(2-ethylsulfanylethyl)-3,4-dihydro-2H-chromen-4-amine is CCNC1CC(CCSCC)Oc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-N-ethyl-2-(2-ethylsulfanylethyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is ZAFSZFSQSULZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNOS/c1-3-17-14-10-12(7-8-19-4-2)18-15-6-5-11(16)9-13(14)15/h5-6,9,12,14,17H,3-4,7-8,10H2,1-2H3.
What are the key properties of 6-chloro-N-ethyl-2-(2-ethylsulfanylethyl)-3,4-dihydro-2H-chromen-4-amine?
6-chloro-N-ethyl-2-(2-ethylsulfanylethyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 299.87 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-ethyl-2-(2-ethylsulfanylethyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114711322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).