N-[2-(2,3-dichlorophenyl)-1-(thiolan-3-yl)ethyl]propan-1-amine

C15H21Cl2NS — CID 107312279

IUPACN-[2-(2,3-dichlorophenyl)-1-(thiolan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(Cl)c1Cl)C1CCSC1
InChIInChI=1S/C15H21Cl2NS/c1-2-7-18-14(12-6-8-19-10-12)9-11-4-3-5-13(16)15(11)17/h3-5,12,14,18H,2,6-10H2,1H3
InChIKeyMQIDPXPBWKCUJV-UHFFFAOYSA-N
MW318.31 g/mol
LogP4.66
Rot. Bonds6

About N-[2-(2,3-dichlorophenyl)-1-(thiolan-3-yl)ethyl]propan-1-amine

N-[2-(2,3-dichlorophenyl)-1-(thiolan-3-yl)ethyl]propan-1-amine (PubChem CID 107312279) has the molecular formula C15H21Cl2NS and a molecular weight of 318.31 g/mol. Its IUPAC name is N-[2-(2,3-dichlorophenyl)-1-(thiolan-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2,3-dichlorophenyl)-1-(thiolan-3-yl)ethyl]propan-1-amine
PubChem CID107312279
Molecular FormulaC15H21Cl2NS
Molecular Weight318.31 g/mol
Exact Mass317.08
IUPAC NameN-[2-(2,3-dichlorophenyl)-1-(thiolan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(Cl)c1Cl)C1CCSC1
InChIInChI=1S/C15H21Cl2NS/c1-2-7-18-14(12-6-8-19-10-12)9-11-4-3-5-13(16)15(11)17/h3-5,12,14,18H,2,6-10H2,1H3
InChIKeyMQIDPXPBWKCUJV-UHFFFAOYSA-N
XLogP4.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.31
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(5-chloro-2-methoxyphenyl)-1-(thiolan-3-yl)ethyl]propan-1-amine
CID 105137354
N-[2-(2,3-dichlorophenyl)-1-(2-methylcyclopentyl)ethyl]propan-1-amine
CID 107312289
N-[2-(3-methoxyphenyl)-1-(thiolan-3-yl)ethyl]propan-1-amine
CID 105133765
N-[2-(furan-3-yl)-1-(thiolan-3-yl)ethyl]propan-1-amine
CID 105177672
N-[2-(2-methoxy-5-methylphenyl)-1-(thiolan-3-yl)ethyl]propan-1-amine
CID 105118116
N-[2-(3,5-difluorophenyl)-1-(thiolan-3-yl)ethyl]propan-1-amine
CID 105412296
N-ethyl-2-(2-methylphenyl)-1-(thiolan-3-yl)ethanamine
CID 105091772
1-(2,3-dichlorophenyl)-N-propylbutan-2-amine
CID 107308434
2-(2,3-dichlorophenyl)-N-ethyl-1-(oxan-4-yl)ethanamine
CID 107308697
[2-(2,6-dichlorophenyl)-1-(thiolan-3-yl)ethyl]hydrazine
CID 105293205
1-(2,3-dichlorophenyl)-4,4,4-trifluoro-N-propylbutan-2-amine
CID 107308478
N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(thiolan-3-yl)ethanamine
CID 105377161

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dichlorophenyl)-1-(thiolan-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2,3-dichlorophenyl)-1-(thiolan-3-yl)ethyl]propan-1-amine (CID 107312279) is N-[2-(2,3-dichlorophenyl)-1-(thiolan-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2,3-dichlorophenyl)-1-(thiolan-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2,3-dichlorophenyl)-1-(thiolan-3-yl)ethyl]propan-1-amine is CCCNC(Cc1cccc(Cl)c1Cl)C1CCSC1.
What is the InChIKey of N-[2-(2,3-dichlorophenyl)-1-(thiolan-3-yl)ethyl]propan-1-amine?
The InChIKey is MQIDPXPBWKCUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2NS/c1-2-7-18-14(12-6-8-19-10-12)9-11-4-3-5-13(16)15(11)17/h3-5,12,14,18H,2,6-10H2,1H3.
What are the key properties of N-[2-(2,3-dichlorophenyl)-1-(thiolan-3-yl)ethyl]propan-1-amine?
N-[2-(2,3-dichlorophenyl)-1-(thiolan-3-yl)ethyl]propan-1-amine has a molecular weight of 318.31 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dichlorophenyl)-1-(thiolan-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 107312279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).