N-[2-(2,5-dichlorophenyl)sulfanylethyl]-1-(1H-indol-3-yl)ethanamine

C18H18Cl2N2S — CID 22327620

IUPACN-[2-(2,5-dichlorophenyl)sulfanylethyl]-1-(1H-indol-3-yl)ethanamine
SMILESCC(NCCSc1cc(Cl)ccc1Cl)c1c[nH]c2ccccc12
InChIInChI=1S/C18H18Cl2N2S/c1-12(15-11-22-17-5-3-2-4-14(15)17)21-8-9-23-18-10-13(19)6-7-16(18)20/h2-7,10-12,21-22H,8-9H2,1H3
InChIKeyNLUBPLLRDIMAPW-UHFFFAOYSA-N
MW365.33 g/mol
LogP5.92
Rot. Bonds6

About N-[2-(2,5-dichlorophenyl)sulfanylethyl]-1-(1H-indol-3-yl)ethanamine

N-[2-(2,5-dichlorophenyl)sulfanylethyl]-1-(1H-indol-3-yl)ethanamine (PubChem CID 22327620) has the molecular formula C18H18Cl2N2S and a molecular weight of 365.33 g/mol. Its IUPAC name is N-[2-(2,5-dichlorophenyl)sulfanylethyl]-1-(1H-indol-3-yl)ethanamine.

Molecular Properties

Compound NameN-[2-(2,5-dichlorophenyl)sulfanylethyl]-1-(1H-indol-3-yl)ethanamine
PubChem CID22327620
Molecular FormulaC18H18Cl2N2S
Molecular Weight365.33 g/mol
Exact Mass364.06
IUPAC NameN-[2-(2,5-dichlorophenyl)sulfanylethyl]-1-(1H-indol-3-yl)ethanamine
SMILESCC(NCCSc1cc(Cl)ccc1Cl)c1c[nH]c2ccccc12
InChIInChI=1S/C18H18Cl2N2S/c1-12(15-11-22-17-5-3-2-4-14(15)17)21-8-9-23-18-10-13(19)6-7-16(18)20/h2-7,10-12,21-22H,8-9H2,1H3
InChIKeyNLUBPLLRDIMAPW-UHFFFAOYSA-N
XLogP5.92
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.33
LogP ≤ 55.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2,5-dichlorophenyl)sulfanylethyl]-1-(furan-2-yl)ethanamine
CID 22327625
N-[2-(2,5-dichlorophenyl)sulfanylethyl]-3-methylbutan-2-amine
CID 55026719
N-[2-(2,5-dichlorophenyl)sulfanylethyl]-1-[3-[(2-methylphenyl)methyl]phenyl]ethanamine
CID 22327687
(2R)-2-[2-(2,5-dichlorophenyl)sulfanylethylamino]propanoic acid
CID 83194055
N-[1-(2,5-dichlorophenyl)ethyl]-3-phenylbutan-1-amine
CID 63463879
(2S,3S)-2-[2-(2,5-dichlorophenyl)sulfanylethylamino]-3-methylpentanoic acid
CID 122099941
1-(3-chlorophenyl)-N-(1H-indol-3-ylmethyl)ethanamine
CID 60664434
3-(2,5-dichlorophenyl)sulfanyl-N-ethylpropan-1-amine
CID 61386021
3-propan-2-yl-1H-indole
CID 12534824
N-[(2R)-2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2489801
1-chloro-1-(1H-indol-3-yl)-N-methylmethanamine
CID 116962085
N-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 4878622

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dichlorophenyl)sulfanylethyl]-1-(1H-indol-3-yl)ethanamine?
The IUPAC name of N-[2-(2,5-dichlorophenyl)sulfanylethyl]-1-(1H-indol-3-yl)ethanamine (CID 22327620) is N-[2-(2,5-dichlorophenyl)sulfanylethyl]-1-(1H-indol-3-yl)ethanamine.
What is the SMILES notation for N-[2-(2,5-dichlorophenyl)sulfanylethyl]-1-(1H-indol-3-yl)ethanamine?
The canonical SMILES for N-[2-(2,5-dichlorophenyl)sulfanylethyl]-1-(1H-indol-3-yl)ethanamine is CC(NCCSc1cc(Cl)ccc1Cl)c1c[nH]c2ccccc12.
What is the InChIKey of N-[2-(2,5-dichlorophenyl)sulfanylethyl]-1-(1H-indol-3-yl)ethanamine?
The InChIKey is NLUBPLLRDIMAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2S/c1-12(15-11-22-17-5-3-2-4-14(15)17)21-8-9-23-18-10-13(19)6-7-16(18)20/h2-7,10-12,21-22H,8-9H2,1H3.
What are the key properties of N-[2-(2,5-dichlorophenyl)sulfanylethyl]-1-(1H-indol-3-yl)ethanamine?
N-[2-(2,5-dichlorophenyl)sulfanylethyl]-1-(1H-indol-3-yl)ethanamine has a molecular weight of 365.33 g/mol, XLogP of 5.92, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dichlorophenyl)sulfanylethyl]-1-(1H-indol-3-yl)ethanamine is sourced from PubChem (CID 22327620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).