1-[4-chloro-2-[(5-methoxy-1H-indol-3-yl)sulfanyl]phenyl]-N-methylmethanamine

C17H17ClN2OS — CID 67018370

IUPAC1-[4-chloro-2-[(5-methoxy-1H-indol-3-yl)sulfanyl]phenyl]-N-methylmethanamine
SMILESCNCc1ccc(Cl)cc1Sc1c[nH]c2ccc(OC)cc12
InChIInChI=1S/C17H17ClN2OS/c1-19-9-11-3-4-12(18)7-16(11)22-17-10-20-15-6-5-13(21-2)8-14(15)17/h3-8,10,19-20H,9H2,1-2H3
InChIKeyZIMAIMDWVZPXKG-UHFFFAOYSA-N
MW332.86 g/mol
LogP4.70
Rot. Bonds5

About 1-[4-chloro-2-[(5-methoxy-1H-indol-3-yl)sulfanyl]phenyl]-N-methylmethanamine

1-[4-chloro-2-[(5-methoxy-1H-indol-3-yl)sulfanyl]phenyl]-N-methylmethanamine (PubChem CID 67018370) has the molecular formula C17H17ClN2OS and a molecular weight of 332.86 g/mol. Its IUPAC name is 1-[4-chloro-2-[(5-methoxy-1H-indol-3-yl)sulfanyl]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-chloro-2-[(5-methoxy-1H-indol-3-yl)sulfanyl]phenyl]-N-methylmethanamine
PubChem CID67018370
Molecular FormulaC17H17ClN2OS
Molecular Weight332.86 g/mol
Exact Mass332.08
IUPAC Name1-[4-chloro-2-[(5-methoxy-1H-indol-3-yl)sulfanyl]phenyl]-N-methylmethanamine
SMILESCNCc1ccc(Cl)cc1Sc1c[nH]c2ccc(OC)cc12
InChIInChI=1S/C17H17ClN2OS/c1-19-9-11-3-4-12(18)7-16(11)22-17-10-20-15-6-5-13(21-2)8-14(15)17/h3-8,10,19-20H,9H2,1-2H3
InChIKeyZIMAIMDWVZPXKG-UHFFFAOYSA-N
XLogP4.70
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.86
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-chloro-2-[(7-ethyl-1H-indol-3-yl)sulfanyl]phenyl]-N-methylmethanamine
CID 67018355
1-[4-chloro-2-[(4-fluoro-1H-indol-3-yl)sulfanyl]phenyl]-N-methylmethanamine
CID 57461258
2-[(5-methoxy-1H-indol-3-yl)sulfanyl]ethanamine
CID 13089119
1-[2-[(5-methoxy-1H-indol-3-yl)sulfanyl]phenyl]-N,N-dimethylmethanamine
CID 11278391
1-[5-chloro-2-[(6-fluoro-1H-indol-3-yl)sulfanyl]phenyl]-N-methylmethanamine
CID 68540753
2-(5-methoxy-1H-indol-3-yl)-N-propan-2-ylacetamide
CID 110847876
4-chloro-N-[(5-methoxy-1H-indol-3-yl)methyl]benzenesulfonamide
CID 169029431
N-(2,6-dichlorophenyl)-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 113209712
N'-[(5-methoxy-1H-indol-3-yl)methyl]ethane-1,2-diamine
CID 124907942
N-[(5-methoxy-1H-indol-3-yl)methyl]acetamide
CID 71554009
N-(3-hydroxybutyl)-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 111433362
1-(5-chloro-1H-indol-3-yl)-2-(4-methoxyphenyl)ethanone
CID 63879051

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2-[(5-methoxy-1H-indol-3-yl)sulfanyl]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-chloro-2-[(5-methoxy-1H-indol-3-yl)sulfanyl]phenyl]-N-methylmethanamine (CID 67018370) is 1-[4-chloro-2-[(5-methoxy-1H-indol-3-yl)sulfanyl]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-chloro-2-[(5-methoxy-1H-indol-3-yl)sulfanyl]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-chloro-2-[(5-methoxy-1H-indol-3-yl)sulfanyl]phenyl]-N-methylmethanamine is CNCc1ccc(Cl)cc1Sc1c[nH]c2ccc(OC)cc12.
What is the InChIKey of 1-[4-chloro-2-[(5-methoxy-1H-indol-3-yl)sulfanyl]phenyl]-N-methylmethanamine?
The InChIKey is ZIMAIMDWVZPXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2OS/c1-19-9-11-3-4-12(18)7-16(11)22-17-10-20-15-6-5-13(21-2)8-14(15)17/h3-8,10,19-20H,9H2,1-2H3.
What are the key properties of 1-[4-chloro-2-[(5-methoxy-1H-indol-3-yl)sulfanyl]phenyl]-N-methylmethanamine?
1-[4-chloro-2-[(5-methoxy-1H-indol-3-yl)sulfanyl]phenyl]-N-methylmethanamine has a molecular weight of 332.86 g/mol, XLogP of 4.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-2-[(5-methoxy-1H-indol-3-yl)sulfanyl]phenyl]-N-methylmethanamine is sourced from PubChem (CID 67018370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).