2-(2-chlorophenyl)-1-(1,4-dithian-2-yl)-N-ethylethanamine

C14H20ClNS2 — CID 79965548

IUPAC2-(2-chlorophenyl)-1-(1,4-dithian-2-yl)-N-ethylethanamine
SMILESCCNC(Cc1ccccc1Cl)C1CSCCS1
InChIInChI=1S/C14H20ClNS2/c1-2-16-13(14-10-17-7-8-18-14)9-11-5-3-4-6-12(11)15/h3-6,13-14,16H,2,7-10H2,1H3
InChIKeyWOTJVIHXYFMSAM-UHFFFAOYSA-N
MW301.91 g/mol
LogP3.71
Rot. Bonds5

About 2-(2-chlorophenyl)-1-(1,4-dithian-2-yl)-N-ethylethanamine

2-(2-chlorophenyl)-1-(1,4-dithian-2-yl)-N-ethylethanamine (PubChem CID 79965548) has the molecular formula C14H20ClNS2 and a molecular weight of 301.91 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-(1,4-dithian-2-yl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-(1,4-dithian-2-yl)-N-ethylethanamine
PubChem CID79965548
Molecular FormulaC14H20ClNS2
Molecular Weight301.91 g/mol
Exact Mass301.07
IUPAC Name2-(2-chlorophenyl)-1-(1,4-dithian-2-yl)-N-ethylethanamine
SMILESCCNC(Cc1ccccc1Cl)C1CSCCS1
InChIInChI=1S/C14H20ClNS2/c1-2-16-13(14-10-17-7-8-18-14)9-11-5-3-4-6-12(11)15/h3-6,13-14,16H,2,7-10H2,1H3
InChIKeyWOTJVIHXYFMSAM-UHFFFAOYSA-N
XLogP3.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.91
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-4-fluorophenyl)-1-(1,4-dithian-2-yl)-N-ethylethanamine
CID 79965359
1-(1,4-dithian-2-yl)-N-ethyl-2-(2-methoxyphenyl)ethanamine
CID 79965549
1-(1,4-dithian-2-yl)-N-ethyl-2-quinolin-4-ylethanamine
CID 79961105
N-[2-(2,4-dichlorophenyl)-1-(1,4-dithian-2-yl)ethyl]propan-1-amine
CID 79965753
1-(1,4-dithian-2-yl)-N-ethyl-2-(3-methylphenyl)ethanamine
CID 79971420
1-(1,4-dithian-2-yl)-N-methyl-2-(2-methylphenyl)ethanamine
CID 79966538
2-(5-bromo-2-methoxyphenyl)-1-(1,4-dithian-2-yl)-N-ethylethanamine
CID 79965642
N-[(7-chloro-1-benzofuran-2-yl)-(1,4-dithian-2-yl)methyl]ethanamine
CID 114729990
N-ethyl-2-(2-methylphenyl)-1-(thiolan-2-yl)ethanamine
CID 80622154
2-(2,5-dichlorophenyl)-N-ethyl-1-(thiolan-2-yl)ethanamine
CID 80622619
1-(2-chlorophenyl)-N-ethylpropan-2-amine
CID 43677539
2-(1-cyclopentylpyrazol-3-yl)-1-(1,4-dithian-2-yl)-N-ethylethanamine
CID 79961112

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-(1,4-dithian-2-yl)-N-ethylethanamine?
The IUPAC name of 2-(2-chlorophenyl)-1-(1,4-dithian-2-yl)-N-ethylethanamine (CID 79965548) is 2-(2-chlorophenyl)-1-(1,4-dithian-2-yl)-N-ethylethanamine.
What is the SMILES notation for 2-(2-chlorophenyl)-1-(1,4-dithian-2-yl)-N-ethylethanamine?
The canonical SMILES for 2-(2-chlorophenyl)-1-(1,4-dithian-2-yl)-N-ethylethanamine is CCNC(Cc1ccccc1Cl)C1CSCCS1.
What is the InChIKey of 2-(2-chlorophenyl)-1-(1,4-dithian-2-yl)-N-ethylethanamine?
The InChIKey is WOTJVIHXYFMSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNS2/c1-2-16-13(14-10-17-7-8-18-14)9-11-5-3-4-6-12(11)15/h3-6,13-14,16H,2,7-10H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-1-(1,4-dithian-2-yl)-N-ethylethanamine?
2-(2-chlorophenyl)-1-(1,4-dithian-2-yl)-N-ethylethanamine has a molecular weight of 301.91 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-(1,4-dithian-2-yl)-N-ethylethanamine is sourced from PubChem (CID 79965548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).