1-(5-bromo-4-chlorothiophen-2-yl)-N,2-dimethyl-2-phenylpropan-1-amine

C15H17BrClNS — CID 80530911

IUPAC1-(5-bromo-4-chlorothiophen-2-yl)-N,2-dimethyl-2-phenylpropan-1-amine
SMILESCNC(c1cc(Cl)c(Br)s1)C(C)(C)c1ccccc1
InChIInChI=1S/C15H17BrClNS/c1-15(2,10-7-5-4-6-8-10)13(18-3)12-9-11(17)14(16)19-12/h4-9,13,18H,1-3H3
InChIKeyXUUKWZCKQKASHW-UHFFFAOYSA-N
MW358.73 g/mol
LogP5.40
Rot. Bonds4

About 1-(5-bromo-4-chlorothiophen-2-yl)-N,2-dimethyl-2-phenylpropan-1-amine

1-(5-bromo-4-chlorothiophen-2-yl)-N,2-dimethyl-2-phenylpropan-1-amine (PubChem CID 80530911) has the molecular formula C15H17BrClNS and a molecular weight of 358.73 g/mol. Its IUPAC name is 1-(5-bromo-4-chlorothiophen-2-yl)-N,2-dimethyl-2-phenylpropan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-4-chlorothiophen-2-yl)-N,2-dimethyl-2-phenylpropan-1-amine
PubChem CID80530911
Molecular FormulaC15H17BrClNS
Molecular Weight358.73 g/mol
Exact Mass357.00
IUPAC Name1-(5-bromo-4-chlorothiophen-2-yl)-N,2-dimethyl-2-phenylpropan-1-amine
SMILESCNC(c1cc(Cl)c(Br)s1)C(C)(C)c1ccccc1
InChIInChI=1S/C15H17BrClNS/c1-15(2,10-7-5-4-6-8-10)13(18-3)12-9-11(17)14(16)19-12/h4-9,13,18H,1-3H3
InChIKeyXUUKWZCKQKASHW-UHFFFAOYSA-N
XLogP5.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.73
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(5-bromo-4-chlorothiophen-2-yl)-N,2-dimethyl-2-phenylpropan-1-amine 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

1-(5-bromo-4-chlorothiophen-2-yl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine
CID 80530944
1-(5-bromo-4-chlorothiophen-2-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine
CID 80531387
1-(5-bromo-4-chlorothiophen-2-yl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 80531358
1-(5-bromo-4-chlorothiophen-2-yl)-N-methyl-1-(2-methylphenyl)methanamine
CID 80531204
N-[(5-bromo-4-chlorothiophen-2-yl)-phenylmethyl]propan-1-amine
CID 80532040
1-(3-bromofuran-2-yl)-N,2-dimethyl-2-phenylpropan-1-amine
CID 63941875
1-(5-bromo-4-chlorothiophen-2-yl)-1-(4-iodophenyl)-N-methylmethanamine
CID 80531186
1-(5-bromo-4-chlorothiophen-2-yl)-1-(2,6-dimethoxyphenyl)-N-methylmethanamine
CID 80530702
1-(2,5-dibromothiophen-3-yl)-2-methyl-2-phenylpropan-1-ol
CID 55198667
1-(5-bromo-4-chlorothiophen-2-yl)-2-ethyl-N-methylbutan-1-amine
CID 80530973
1-(5-bromo-4-chlorothiophen-2-yl)-1-[2-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 80530820
1-(5-bromo-4-chlorothiophen-2-yl)-2-(3-chlorophenyl)-N-methylethanamine
CID 80531010

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-chlorothiophen-2-yl)-N,2-dimethyl-2-phenylpropan-1-amine?
The IUPAC name of 1-(5-bromo-4-chlorothiophen-2-yl)-N,2-dimethyl-2-phenylpropan-1-amine (CID 80530911) is 1-(5-bromo-4-chlorothiophen-2-yl)-N,2-dimethyl-2-phenylpropan-1-amine.
What is the SMILES notation for 1-(5-bromo-4-chlorothiophen-2-yl)-N,2-dimethyl-2-phenylpropan-1-amine?
The canonical SMILES for 1-(5-bromo-4-chlorothiophen-2-yl)-N,2-dimethyl-2-phenylpropan-1-amine is CNC(c1cc(Cl)c(Br)s1)C(C)(C)c1ccccc1.
What is the InChIKey of 1-(5-bromo-4-chlorothiophen-2-yl)-N,2-dimethyl-2-phenylpropan-1-amine?
The InChIKey is XUUKWZCKQKASHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrClNS/c1-15(2,10-7-5-4-6-8-10)13(18-3)12-9-11(17)14(16)19-12/h4-9,13,18H,1-3H3.
What are the key properties of 1-(5-bromo-4-chlorothiophen-2-yl)-N,2-dimethyl-2-phenylpropan-1-amine?
1-(5-bromo-4-chlorothiophen-2-yl)-N,2-dimethyl-2-phenylpropan-1-amine has a molecular weight of 358.73 g/mol, XLogP of 5.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-chlorothiophen-2-yl)-N,2-dimethyl-2-phenylpropan-1-amine is sourced from PubChem (CID 80530911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).