3-(1-benzothiophen-3-yl)-2-N-(2-methoxyphenyl)-2-N-methylpropane-1,2-diamine

C19H22N2OS — CID 67633403

IUPAC3-(1-benzothiophen-3-yl)-2-N-(2-methoxyphenyl)-2-N-methylpropane-1,2-diamine
SMILESCOc1ccccc1N(C)C(CN)Cc1csc2ccccc12
InChIInChI=1S/C19H22N2OS/c1-21(17-8-4-5-9-18(17)22-2)15(12-20)11-14-13-23-19-10-6-3-7-16(14)19/h3-10,13,15H,11-12,20H2,1-2H3
InChIKeyOAUMUQYOLSJXQH-UHFFFAOYSA-N
MW326.47 g/mol
LogP3.92
Rot. Bonds6

About 3-(1-benzothiophen-3-yl)-2-N-(2-methoxyphenyl)-2-N-methylpropane-1,2-diamine

3-(1-benzothiophen-3-yl)-2-N-(2-methoxyphenyl)-2-N-methylpropane-1,2-diamine (PubChem CID 67633403) has the molecular formula C19H22N2OS and a molecular weight of 326.47 g/mol. Its IUPAC name is 3-(1-benzothiophen-3-yl)-2-N-(2-methoxyphenyl)-2-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name3-(1-benzothiophen-3-yl)-2-N-(2-methoxyphenyl)-2-N-methylpropane-1,2-diamine
PubChem CID67633403
Molecular FormulaC19H22N2OS
Molecular Weight326.47 g/mol
Exact Mass326.15
IUPAC Name3-(1-benzothiophen-3-yl)-2-N-(2-methoxyphenyl)-2-N-methylpropane-1,2-diamine
SMILESCOc1ccccc1N(C)C(CN)Cc1csc2ccccc12
InChIInChI=1S/C19H22N2OS/c1-21(17-8-4-5-9-18(17)22-2)15(12-20)11-14-13-23-19-10-6-3-7-16(14)19/h3-10,13,15H,11-12,20H2,1-2H3
InChIKeyOAUMUQYOLSJXQH-UHFFFAOYSA-N
XLogP3.92
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-amino-3-methoxyphenyl)-2-(1-benzothiophen-3-yl)ethanol
CID 107469527
4-methoxy-2-N-(2-methoxyphenyl)-2-N,4-dimethylpentane-1,2-diamine
CID 106675642
3-[(2-methoxyphenoxy)methyl]-1-benzothiophene
CID 117170894
[2-(1-benzothiophen-3-ylmethoxy)-3-methoxyphenyl]methanamine
CID 63743487
2-(aminomethyl)-3-(1-benzothiophen-3-yl)propan-1-ol
CID 63738868
2-(1-benzothiophen-3-yl)-1-(4-methoxyphenyl)ethanamine
CID 63738834
2-(1-benzothiophen-3-yl)-1-(4-chloro-2-methoxyphenyl)ethanamine
CID 115824040
1-(1-benzothiophen-3-yl)-3-methoxypropan-2-ol
CID 63739171
3-(1-benzothiophen-3-yl)-2-hydrazinyl-N,N-dimethylpropan-1-amine
CID 105244750
1-(1-benzothiophen-3-yl)-3-ethyl-3-N,3-N-dimethylpentane-2,3-diamine
CID 79062515
3-[1-bromo-2-(2-methoxyphenyl)ethyl]-1-benzothiophene
CID 63441042
methyl 2-amino-3-(1-benzothiophen-3-yl)propanoate;hydrochloride
CID 68769670

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-3-yl)-2-N-(2-methoxyphenyl)-2-N-methylpropane-1,2-diamine?
The IUPAC name of 3-(1-benzothiophen-3-yl)-2-N-(2-methoxyphenyl)-2-N-methylpropane-1,2-diamine (CID 67633403) is 3-(1-benzothiophen-3-yl)-2-N-(2-methoxyphenyl)-2-N-methylpropane-1,2-diamine.
What is the SMILES notation for 3-(1-benzothiophen-3-yl)-2-N-(2-methoxyphenyl)-2-N-methylpropane-1,2-diamine?
The canonical SMILES for 3-(1-benzothiophen-3-yl)-2-N-(2-methoxyphenyl)-2-N-methylpropane-1,2-diamine is COc1ccccc1N(C)C(CN)Cc1csc2ccccc12.
What is the InChIKey of 3-(1-benzothiophen-3-yl)-2-N-(2-methoxyphenyl)-2-N-methylpropane-1,2-diamine?
The InChIKey is OAUMUQYOLSJXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2OS/c1-21(17-8-4-5-9-18(17)22-2)15(12-20)11-14-13-23-19-10-6-3-7-16(14)19/h3-10,13,15H,11-12,20H2,1-2H3.
What are the key properties of 3-(1-benzothiophen-3-yl)-2-N-(2-methoxyphenyl)-2-N-methylpropane-1,2-diamine?
3-(1-benzothiophen-3-yl)-2-N-(2-methoxyphenyl)-2-N-methylpropane-1,2-diamine has a molecular weight of 326.47 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-3-yl)-2-N-(2-methoxyphenyl)-2-N-methylpropane-1,2-diamine is sourced from PubChem (CID 67633403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).