N-[(5-bromothiophen-2-yl)methyl]-1-(2,4-dimethoxyphenyl)methanamine

C14H16BrNO2S — CID 60743938

IUPACN-[(5-bromothiophen-2-yl)methyl]-1-(2,4-dimethoxyphenyl)methanamine
SMILESCOc1ccc(CNCc2ccc(Br)s2)c(OC)c1
InChIInChI=1S/C14H16BrNO2S/c1-17-11-4-3-10(13(7-11)18-2)8-16-9-12-5-6-14(15)19-12/h3-7,16H,8-9H2,1-2H3
InChIKeyLNKFPPQMDNDRDG-UHFFFAOYSA-N
MW342.26 g/mol
LogP3.82
Rot. Bonds6

About N-[(5-bromothiophen-2-yl)methyl]-1-(2,4-dimethoxyphenyl)methanamine

N-[(5-bromothiophen-2-yl)methyl]-1-(2,4-dimethoxyphenyl)methanamine (PubChem CID 60743938) has the molecular formula C14H16BrNO2S and a molecular weight of 342.26 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-1-(2,4-dimethoxyphenyl)methanamine.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-1-(2,4-dimethoxyphenyl)methanamine
PubChem CID60743938
Molecular FormulaC14H16BrNO2S
Molecular Weight342.26 g/mol
Exact Mass341.01
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-1-(2,4-dimethoxyphenyl)methanamine
SMILESCOc1ccc(CNCc2ccc(Br)s2)c(OC)c1
InChIInChI=1S/C14H16BrNO2S/c1-17-11-4-3-10(13(7-11)18-2)8-16-9-12-5-6-14(15)19-12/h3-7,16H,8-9H2,1-2H3
InChIKeyLNKFPPQMDNDRDG-UHFFFAOYSA-N
XLogP3.82
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.26
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(5-bromothiophen-2-yl)methyl]-1-(2,4-dimethoxyphenyl)methanamine 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-[(5-bromo-2-methoxyphenyl)methyl]-1-(5-bromothiophen-2-yl)methanamine
CID 60743719
2-[(2,4-dimethoxyphenyl)methylamino]ethanethiol
CID 115223928
N-[(4-bromo-2-chlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine
CID 115595290
1-(5-bromothiophen-2-yl)-N-[(5-bromothiophen-2-yl)methyl]methanamine
CID 61011766
N-[(5-bromo-2-chlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine
CID 103792636
1-(2,4-dimethoxyphenyl)-N-[(3,5-dimethoxyphenyl)methyl]methanamine;hydrochloride
CID 47020695
2-[[(2,4-dimethoxyphenyl)methylamino]methyl]phenol
CID 62732592
2-(5-bromothiophen-2-yl)-1-(2,4-dimethoxyphenyl)ethanone
CID 114967385
5-[(5-bromothiophen-2-yl)methyl]-1-[(2,4-dimethoxyphenyl)methyl]triazole
CID 141269663
1-(2,4-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 39370180
1-(5-bromothiophen-2-yl)-N-[(2,5-dimethylfuran-3-yl)methyl]methanamine
CID 115627577
N-[(5-bromothiophen-2-yl)methyl]-1-(2,4-dimethylphenyl)methanamine
CID 60744211

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-1-(2,4-dimethoxyphenyl)methanamine?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-1-(2,4-dimethoxyphenyl)methanamine (CID 60743938) is N-[(5-bromothiophen-2-yl)methyl]-1-(2,4-dimethoxyphenyl)methanamine.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-1-(2,4-dimethoxyphenyl)methanamine?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-1-(2,4-dimethoxyphenyl)methanamine is COc1ccc(CNCc2ccc(Br)s2)c(OC)c1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-1-(2,4-dimethoxyphenyl)methanamine?
The InChIKey is LNKFPPQMDNDRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO2S/c1-17-11-4-3-10(13(7-11)18-2)8-16-9-12-5-6-14(15)19-12/h3-7,16H,8-9H2,1-2H3.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-1-(2,4-dimethoxyphenyl)methanamine?
N-[(5-bromothiophen-2-yl)methyl]-1-(2,4-dimethoxyphenyl)methanamine has a molecular weight of 342.26 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-1-(2,4-dimethoxyphenyl)methanamine is sourced from PubChem (CID 60743938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).