2-[(2-bromophenyl)methyl]-3-(3-bromothiophen-2-yl)-N-methylpropan-1-amine

C15H17Br2NS — CID 63521959

IUPAC2-[(2-bromophenyl)methyl]-3-(3-bromothiophen-2-yl)-N-methylpropan-1-amine
SMILESCNCC(Cc1ccccc1Br)Cc1sccc1Br
InChIInChI=1S/C15H17Br2NS/c1-18-10-11(9-15-14(17)6-7-19-15)8-12-4-2-3-5-13(12)16/h2-7,11,18H,8-10H2,1H3
InChIKeyJNQZFXHCKWMVRI-UHFFFAOYSA-N
MW403.18 g/mol
LogP4.89
Rot. Bonds6

About 2-[(2-bromophenyl)methyl]-3-(3-bromothiophen-2-yl)-N-methylpropan-1-amine

2-[(2-bromophenyl)methyl]-3-(3-bromothiophen-2-yl)-N-methylpropan-1-amine (PubChem CID 63521959) has the molecular formula C15H17Br2NS and a molecular weight of 403.18 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methyl]-3-(3-bromothiophen-2-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-[(2-bromophenyl)methyl]-3-(3-bromothiophen-2-yl)-N-methylpropan-1-amine
PubChem CID63521959
Molecular FormulaC15H17Br2NS
Molecular Weight403.18 g/mol
Exact Mass400.94
IUPAC Name2-[(2-bromophenyl)methyl]-3-(3-bromothiophen-2-yl)-N-methylpropan-1-amine
SMILESCNCC(Cc1ccccc1Br)Cc1sccc1Br
InChIInChI=1S/C15H17Br2NS/c1-18-10-11(9-15-14(17)6-7-19-15)8-12-4-2-3-5-13(12)16/h2-7,11,18H,8-10H2,1H3
InChIKeyJNQZFXHCKWMVRI-UHFFFAOYSA-N
XLogP4.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.18
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-bromothiophen-2-yl)methyl]-3-(4-chlorophenyl)-N-methylpropan-1-amine
CID 63521712
2-[(3-bromothiophen-2-yl)methyl]-3-(3-fluorophenyl)-N-methylpropan-1-amine
CID 62516456
2-[(2-bromophenyl)methyl]-3-(4-iodophenyl)-N-methylpropan-1-amine
CID 65490315
2-[(3-bromothiophen-2-yl)methyl]-3-(2-methylphenyl)propan-1-ol
CID 66057841
2-[(2-bromophenyl)methyl]-3-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylpropan-1-amine
CID 115334298
2-[(2-bromophenyl)methyl]-3-(5-chloro-2-fluorophenyl)-N-methylpropan-1-amine
CID 103049663
2-[(3-bromothiophen-2-yl)methyl]-N,3,3-trimethylbutan-1-amine
CID 83138413
2-[(2-bromophenyl)methyl]-5-methoxy-N-methylpentan-1-amine
CID 62515977
2-[(2-bromophenyl)methyl]-N-methyl-4-(3-methylbutoxy)butan-1-amine
CID 62516836
3-(3-bromothiophen-2-yl)-2-phenyl-N-propylpropan-1-amine
CID 65431914
2-[(2-bromophenyl)methyl]-N-methyl-4-(1-methylpyrazol-4-yl)butan-1-amine
CID 103014397
3-(3-bromothiophen-2-yl)-2-(3-chlorophenyl)-N-methylpropan-1-amine
CID 79442587

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methyl]-3-(3-bromothiophen-2-yl)-N-methylpropan-1-amine?
The IUPAC name of 2-[(2-bromophenyl)methyl]-3-(3-bromothiophen-2-yl)-N-methylpropan-1-amine (CID 63521959) is 2-[(2-bromophenyl)methyl]-3-(3-bromothiophen-2-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 2-[(2-bromophenyl)methyl]-3-(3-bromothiophen-2-yl)-N-methylpropan-1-amine?
The canonical SMILES for 2-[(2-bromophenyl)methyl]-3-(3-bromothiophen-2-yl)-N-methylpropan-1-amine is CNCC(Cc1ccccc1Br)Cc1sccc1Br.
What is the InChIKey of 2-[(2-bromophenyl)methyl]-3-(3-bromothiophen-2-yl)-N-methylpropan-1-amine?
The InChIKey is JNQZFXHCKWMVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Br2NS/c1-18-10-11(9-15-14(17)6-7-19-15)8-12-4-2-3-5-13(12)16/h2-7,11,18H,8-10H2,1H3.
What are the key properties of 2-[(2-bromophenyl)methyl]-3-(3-bromothiophen-2-yl)-N-methylpropan-1-amine?
2-[(2-bromophenyl)methyl]-3-(3-bromothiophen-2-yl)-N-methylpropan-1-amine has a molecular weight of 403.18 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methyl]-3-(3-bromothiophen-2-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 63521959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).