N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine

C16H20ClNO2S — CID 61473429

IUPACN-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
SMILESCOc1cc(CNC(C)c2ccc(C)s2)cc(Cl)c1OC
InChIInChI=1S/C16H20ClNO2S/c1-10-5-6-15(21-10)11(2)18-9-12-7-13(17)16(20-4)14(8-12)19-3/h5-8,11,18H,9H2,1-4H3
InChIKeyOHZDKCDTUQJARW-UHFFFAOYSA-N
MW325.86 g/mol
LogP4.58
Rot. Bonds6

About N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine

N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine (PubChem CID 61473429) has the molecular formula C16H20ClNO2S and a molecular weight of 325.86 g/mol. Its IUPAC name is N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
PubChem CID61473429
Molecular FormulaC16H20ClNO2S
Molecular Weight325.86 g/mol
Exact Mass325.09
IUPAC NameN-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
SMILESCOc1cc(CNC(C)c2ccc(C)s2)cc(Cl)c1OC
InChIInChI=1S/C16H20ClNO2S/c1-10-5-6-15(21-10)11(2)18-9-12-7-13(17)16(20-4)14(8-12)19-3/h5-8,11,18H,9H2,1-4H3
InChIKeyOHZDKCDTUQJARW-UHFFFAOYSA-N
XLogP4.58
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.86
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-(5-chlorothiophen-2-yl)ethanamine
CID 43432626
2-methoxy-4-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]phenol
CID 61473264
N-[(3-chloro-4-methylphenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 106816707
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-(2-methylphenyl)ethanamine
CID 78805239
N-[(3-chloro-4-fluorophenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 62539090
4-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]-2,6-dimethoxyphenol
CID 43432574
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]butan-2-amine;hydrochloride
CID 17292333
1-(5-methylthiophen-2-yl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 61472993
1-(5-chlorothiophen-2-yl)-N-[(3,5-dibromo-4-methoxyphenyl)methyl]ethanamine
CID 43612762
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-(oxan-4-yl)ethanamine
CID 103769090
N-[(2,5-dichlorophenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 65316176
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-4-phenylbutan-2-amine;hydrochloride
CID 17211280

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine?
The IUPAC name of N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine (CID 61473429) is N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine?
The canonical SMILES for N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine is COc1cc(CNC(C)c2ccc(C)s2)cc(Cl)c1OC.
What is the InChIKey of N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine?
The InChIKey is OHZDKCDTUQJARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO2S/c1-10-5-6-15(21-10)11(2)18-9-12-7-13(17)16(20-4)14(8-12)19-3/h5-8,11,18H,9H2,1-4H3.
What are the key properties of N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine?
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine has a molecular weight of 325.86 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 61473429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).