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

C14H16BrNS — CID 60744211

IUPACN-[(5-bromothiophen-2-yl)methyl]-1-(2,4-dimethylphenyl)methanamine
SMILESCc1ccc(CNCc2ccc(Br)s2)c(C)c1
InChIInChI=1S/C14H16BrNS/c1-10-3-4-12(11(2)7-10)8-16-9-13-5-6-14(15)17-13/h3-7,16H,8-9H2,1-2H3
InChIKeyJSUFCVDKRMSNKF-UHFFFAOYSA-N
MW310.26 g/mol
LogP4.42
Rot. Bonds4

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

N-[(5-bromothiophen-2-yl)methyl]-1-(2,4-dimethylphenyl)methanamine (PubChem CID 60744211) has the molecular formula C14H16BrNS and a molecular weight of 310.26 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-1-(2,4-dimethylphenyl)methanamine.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-1-(2,4-dimethylphenyl)methanamine
PubChem CID60744211
Molecular FormulaC14H16BrNS
Molecular Weight310.26 g/mol
Exact Mass309.02
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-1-(2,4-dimethylphenyl)methanamine
SMILESCc1ccc(CNCc2ccc(Br)s2)c(C)c1
InChIInChI=1S/C14H16BrNS/c1-10-3-4-12(11(2)7-10)8-16-9-13-5-6-14(15)17-13/h3-7,16H,8-9H2,1-2H3
InChIKeyJSUFCVDKRMSNKF-UHFFFAOYSA-N
XLogP4.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.26
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromothiophen-2-yl)-N-[(5-bromothiophen-2-yl)methyl]methanamine
CID 61011766
1-(5-bromothiophen-2-yl)-N-[(2,5-dimethylfuran-3-yl)methyl]methanamine
CID 115627577
N-[(2-bromo-4-methylphenyl)methyl]-2-(5-bromothiophen-2-yl)ethanamine
CID 114140050
1-(4-bromo-3-methylphenyl)-N-[(5-bromothiophen-2-yl)methyl]methanamine
CID 66472417
N-[(5-bromothiophen-2-yl)methyl]-1-(2,4-dimethoxyphenyl)methanamine
CID 60743938
N-[(5-bromothiophen-2-yl)methyl]-1-(2-chloro-4-fluorophenyl)methanamine
CID 54900023
N-[(5-bromo-2-methoxyphenyl)methyl]-1-(5-bromothiophen-2-yl)methanamine
CID 60743719
methyl 3-bromo-4-[[(5-bromothiophen-2-yl)methylamino]methyl]benzoate
CID 102766544
2-bromo-N-[(5-bromothiophen-2-yl)methyl]-5-methylbenzamide
CID 80979827
N-[(5-bromothiophen-2-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 78911502
N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1-(5-bromothiophen-2-yl)methanamine
CID 60744317
N-[(5-bromothiophen-2-yl)methyl]propan-1-amine
CID 24705836

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-1-(2,4-dimethylphenyl)methanamine?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-1-(2,4-dimethylphenyl)methanamine (CID 60744211) is N-[(5-bromothiophen-2-yl)methyl]-1-(2,4-dimethylphenyl)methanamine.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-1-(2,4-dimethylphenyl)methanamine?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-1-(2,4-dimethylphenyl)methanamine is Cc1ccc(CNCc2ccc(Br)s2)c(C)c1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-1-(2,4-dimethylphenyl)methanamine?
The InChIKey is JSUFCVDKRMSNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNS/c1-10-3-4-12(11(2)7-10)8-16-9-13-5-6-14(15)17-13/h3-7,16H,8-9H2,1-2H3.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-1-(2,4-dimethylphenyl)methanamine?
N-[(5-bromothiophen-2-yl)methyl]-1-(2,4-dimethylphenyl)methanamine has a molecular weight of 310.26 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-1-(2,4-dimethylphenyl)methanamine is sourced from PubChem (CID 60744211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).