N-[2-(3-bromophenyl)-3-(4-bromothiophen-2-yl)propyl]-2-methylpropan-2-amine

C17H21Br2NS — CID 79430849

IUPACN-[2-(3-bromophenyl)-3-(4-bromothiophen-2-yl)propyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC(Cc1cc(Br)cs1)c1cccc(Br)c1
InChIInChI=1S/C17H21Br2NS/c1-17(2,3)20-10-13(8-16-9-15(19)11-21-16)12-5-4-6-14(18)7-12/h4-7,9,11,13,20H,8,10H2,1-3H3
InChIKeyJRYLERPXJPGTEL-UHFFFAOYSA-N
MW431.24 g/mol
LogP5.99
Rot. Bonds5

About N-[2-(3-bromophenyl)-3-(4-bromothiophen-2-yl)propyl]-2-methylpropan-2-amine

N-[2-(3-bromophenyl)-3-(4-bromothiophen-2-yl)propyl]-2-methylpropan-2-amine (PubChem CID 79430849) has the molecular formula C17H21Br2NS and a molecular weight of 431.24 g/mol. Its IUPAC name is N-[2-(3-bromophenyl)-3-(4-bromothiophen-2-yl)propyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(3-bromophenyl)-3-(4-bromothiophen-2-yl)propyl]-2-methylpropan-2-amine
PubChem CID79430849
Molecular FormulaC17H21Br2NS
Molecular Weight431.24 g/mol
Exact Mass428.98
IUPAC NameN-[2-(3-bromophenyl)-3-(4-bromothiophen-2-yl)propyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC(Cc1cc(Br)cs1)c1cccc(Br)c1
InChIInChI=1S/C17H21Br2NS/c1-17(2,3)20-10-13(8-16-9-15(19)11-21-16)12-5-4-6-14(18)7-12/h4-7,9,11,13,20H,8,10H2,1-3H3
InChIKeyJRYLERPXJPGTEL-UHFFFAOYSA-N
XLogP5.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.24
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)-3-(4-bromothiophen-2-yl)-N-propan-2-ylpropan-1-amine
CID 79443581
2-(3-bromophenyl)-3-(4-bromothiophen-2-yl)-N-(2-methoxyethyl)propan-1-amine
CID 79431151
N-[2-(3-bromophenyl)-3-trimethylsilylpropyl]-2-methylpropan-2-amine
CID 106323819
N-[2-(3-bromophenyl)-3-(furan-2-yl)propyl]-2-methylpropan-2-amine
CID 79442534
4-(4-bromothiophen-2-yl)-N-tert-butyl-2,3-dimethylbutan-1-amine
CID 81015868
N-[3-(4-bromothiophen-2-yl)-2-(3-fluorophenyl)propyl]-2-methylpropan-1-amine
CID 79432215
N-[2-(3-bromophenyl)-3-(1-methylpyrazol-3-yl)propyl]-2-methylpropan-2-amine
CID 82870237
N-[3-(4-bromothiophen-2-yl)-2-phenylpropyl]-2-methylpropan-1-amine
CID 65429324
2-methyl-N-[2-(3-methylphenyl)-3-(1,3-thiazol-5-yl)propyl]propan-2-amine
CID 115979447
2-(3-bromophenyl)-N-tert-butyl-4-(2-methylpropoxy)butan-1-amine
CID 106457162
2-methyl-N-[2-(3-methylphenyl)-3-thiophen-3-ylpropyl]propan-2-amine
CID 79416933
2-[(4-bromothiophen-2-yl)methyl]-N,3,3-trimethylbutan-1-amine
CID 83139108

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromophenyl)-3-(4-bromothiophen-2-yl)propyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-(3-bromophenyl)-3-(4-bromothiophen-2-yl)propyl]-2-methylpropan-2-amine (CID 79430849) is N-[2-(3-bromophenyl)-3-(4-bromothiophen-2-yl)propyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-(3-bromophenyl)-3-(4-bromothiophen-2-yl)propyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-(3-bromophenyl)-3-(4-bromothiophen-2-yl)propyl]-2-methylpropan-2-amine is CC(C)(C)NCC(Cc1cc(Br)cs1)c1cccc(Br)c1.
What is the InChIKey of N-[2-(3-bromophenyl)-3-(4-bromothiophen-2-yl)propyl]-2-methylpropan-2-amine?
The InChIKey is JRYLERPXJPGTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21Br2NS/c1-17(2,3)20-10-13(8-16-9-15(19)11-21-16)12-5-4-6-14(18)7-12/h4-7,9,11,13,20H,8,10H2,1-3H3.
What are the key properties of N-[2-(3-bromophenyl)-3-(4-bromothiophen-2-yl)propyl]-2-methylpropan-2-amine?
N-[2-(3-bromophenyl)-3-(4-bromothiophen-2-yl)propyl]-2-methylpropan-2-amine has a molecular weight of 431.24 g/mol, XLogP of 5.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromophenyl)-3-(4-bromothiophen-2-yl)propyl]-2-methylpropan-2-amine is sourced from PubChem (CID 79430849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).