N-[(3-bromothiophen-2-yl)methyl]-1-(3,4-dimethylphenyl)methanamine

C14H16BrNS — CID 78943500

IUPACN-[(3-bromothiophen-2-yl)methyl]-1-(3,4-dimethylphenyl)methanamine
SMILESCc1ccc(CNCc2sccc2Br)cc1C
InChIInChI=1S/C14H16BrNS/c1-10-3-4-12(7-11(10)2)8-16-9-14-13(15)5-6-17-14/h3-7,16H,8-9H2,1-2H3
InChIKeyLAHNYBXBTULXIN-UHFFFAOYSA-N
MW310.26 g/mol
LogP4.42
Rot. Bonds4

About N-[(3-bromothiophen-2-yl)methyl]-1-(3,4-dimethylphenyl)methanamine

N-[(3-bromothiophen-2-yl)methyl]-1-(3,4-dimethylphenyl)methanamine (PubChem CID 78943500) has the molecular formula C14H16BrNS and a molecular weight of 310.26 g/mol. Its IUPAC name is N-[(3-bromothiophen-2-yl)methyl]-1-(3,4-dimethylphenyl)methanamine.

Molecular Properties

Compound NameN-[(3-bromothiophen-2-yl)methyl]-1-(3,4-dimethylphenyl)methanamine
PubChem CID78943500
Molecular FormulaC14H16BrNS
Molecular Weight310.26 g/mol
Exact Mass309.02
IUPAC NameN-[(3-bromothiophen-2-yl)methyl]-1-(3,4-dimethylphenyl)methanamine
SMILESCc1ccc(CNCc2sccc2Br)cc1C
InChIInChI=1S/C14H16BrNS/c1-10-3-4-12(7-11(10)2)8-16-9-14-13(15)5-6-17-14/h3-7,16H,8-9H2,1-2H3
InChIKeyLAHNYBXBTULXIN-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

N-[(3-bromothiophen-2-yl)methyl]-1-(3,5-dimethylphenyl)methanamine
CID 78943535
N-[(3-bromothiophen-2-yl)methyl]-1-(3-methyl-2-pyridinyl)methanamine
CID 63305848
N-[(3-bromothiophen-2-yl)methyl]-1-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanamine
CID 78989787
N-[(3-bromothiophen-2-yl)methyl]-2-methoxy-2-methylpropan-1-amine
CID 104756410
N-[(3-bromothiophen-2-yl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine
CID 78943493
N-[(3-bromothiophen-2-yl)methyl]-1-(5-chloro-2-methoxyphenyl)methanamine
CID 78943520
4-bromo-N-[(3-bromothiophen-2-yl)methyl]-2-methylaniline
CID 63488263
1-(2,3-dihydro-1H-isoindol-5-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine
CID 103998382
N-[(3-bromothiophen-2-yl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 78989804
N-[2-[(3-bromothiophen-2-yl)methylamino]ethyl]ethanesulfonamide
CID 86793085
[3-[[(3-methylthiophen-2-yl)methylamino]methyl]phenyl]methanol
CID 103648607
5-[(3-bromothiophen-2-yl)methylamino]pentan-2-ol
CID 107267901

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-1-(3,4-dimethylphenyl)methanamine?
The IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-1-(3,4-dimethylphenyl)methanamine (CID 78943500) is N-[(3-bromothiophen-2-yl)methyl]-1-(3,4-dimethylphenyl)methanamine.
What is the SMILES notation for N-[(3-bromothiophen-2-yl)methyl]-1-(3,4-dimethylphenyl)methanamine?
The canonical SMILES for N-[(3-bromothiophen-2-yl)methyl]-1-(3,4-dimethylphenyl)methanamine is Cc1ccc(CNCc2sccc2Br)cc1C.
What is the InChIKey of N-[(3-bromothiophen-2-yl)methyl]-1-(3,4-dimethylphenyl)methanamine?
The InChIKey is LAHNYBXBTULXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNS/c1-10-3-4-12(7-11(10)2)8-16-9-14-13(15)5-6-17-14/h3-7,16H,8-9H2,1-2H3.
What are the key properties of N-[(3-bromothiophen-2-yl)methyl]-1-(3,4-dimethylphenyl)methanamine?
N-[(3-bromothiophen-2-yl)methyl]-1-(3,4-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-[(3-bromothiophen-2-yl)methyl]-1-(3,4-dimethylphenyl)methanamine is sourced from PubChem (CID 78943500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).