3-(2,5-dichlorophenyl)sulfanyl-N-ethylheptan-4-amine

C15H23Cl2NS — CID 64619681

IUPAC3-(2,5-dichlorophenyl)sulfanyl-N-ethylheptan-4-amine
SMILESCCCC(NCC)C(CC)Sc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H23Cl2NS/c1-4-7-13(18-6-3)14(5-2)19-15-10-11(16)8-9-12(15)17/h8-10,13-14,18H,4-7H2,1-3H3
InChIKeyLPBBOOLTPBLYBU-UHFFFAOYSA-N
MW320.33 g/mol
LogP5.64
Rot. Bonds8

About 3-(2,5-dichlorophenyl)sulfanyl-N-ethylheptan-4-amine

3-(2,5-dichlorophenyl)sulfanyl-N-ethylheptan-4-amine (PubChem CID 64619681) has the molecular formula C15H23Cl2NS and a molecular weight of 320.33 g/mol. Its IUPAC name is 3-(2,5-dichlorophenyl)sulfanyl-N-ethylheptan-4-amine.

Molecular Properties

Compound Name3-(2,5-dichlorophenyl)sulfanyl-N-ethylheptan-4-amine
PubChem CID64619681
Molecular FormulaC15H23Cl2NS
Molecular Weight320.33 g/mol
Exact Mass319.09
IUPAC Name3-(2,5-dichlorophenyl)sulfanyl-N-ethylheptan-4-amine
SMILESCCCC(NCC)C(CC)Sc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H23Cl2NS/c1-4-7-13(18-6-3)14(5-2)19-15-10-11(16)8-9-12(15)17/h8-10,13-14,18H,4-7H2,1-3H3
InChIKeyLPBBOOLTPBLYBU-UHFFFAOYSA-N
XLogP5.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.33
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chlorophenyl)sulfanyl-N-ethylheptan-4-amine
CID 64632327
3-(3-chlorophenyl)sulfanyl-N-methylheptan-4-amine
CID 64634700
3-(4-chlorophenyl)-N-ethylheptan-4-amine
CID 83051946
3-(2,5-dichlorophenyl)sulfonyl-N-methylheptan-4-amine
CID 64641228
ethyl 2-(2,5-dichlorophenyl)sulfanylpentanoate
CID 83038841
2-(3-chloro-4-fluorophenyl)-N-ethylhexan-3-amine
CID 83051112
N-ethyl-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylheptan-4-amine
CID 65040959
2-(2,5-dichlorophenyl)-N-propylhexan-3-amine
CID 83051537
N-[bis(2,5-dichlorophenyl)methyl]ethanamine
CID 43493009
2-(2,5-dichlorophenyl)sulfanylbutanehydrazide
CID 63582266
N-ethyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]heptan-4-amine
CID 113298908
3-(2,5-dichlorophenyl)-N-ethyl-1,1-difluoropropan-2-amine
CID 103516664

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dichlorophenyl)sulfanyl-N-ethylheptan-4-amine?
The IUPAC name of 3-(2,5-dichlorophenyl)sulfanyl-N-ethylheptan-4-amine (CID 64619681) is 3-(2,5-dichlorophenyl)sulfanyl-N-ethylheptan-4-amine.
What is the SMILES notation for 3-(2,5-dichlorophenyl)sulfanyl-N-ethylheptan-4-amine?
The canonical SMILES for 3-(2,5-dichlorophenyl)sulfanyl-N-ethylheptan-4-amine is CCCC(NCC)C(CC)Sc1cc(Cl)ccc1Cl.
What is the InChIKey of 3-(2,5-dichlorophenyl)sulfanyl-N-ethylheptan-4-amine?
The InChIKey is LPBBOOLTPBLYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2NS/c1-4-7-13(18-6-3)14(5-2)19-15-10-11(16)8-9-12(15)17/h8-10,13-14,18H,4-7H2,1-3H3.
What are the key properties of 3-(2,5-dichlorophenyl)sulfanyl-N-ethylheptan-4-amine?
3-(2,5-dichlorophenyl)sulfanyl-N-ethylheptan-4-amine has a molecular weight of 320.33 g/mol, XLogP of 5.64, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dichlorophenyl)sulfanyl-N-ethylheptan-4-amine is sourced from PubChem (CID 64619681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).