N-[(3-bromothiophen-2-yl)-(2,3,5,6-tetramethylphenyl)methyl]propan-1-amine

C18H24BrNS — CID 63797565

IUPACN-[(3-bromothiophen-2-yl)-(2,3,5,6-tetramethylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1sccc1Br)c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C18H24BrNS/c1-6-8-20-17(18-15(19)7-9-21-18)16-13(4)11(2)10-12(3)14(16)5/h7,9-10,17,20H,6,8H2,1-5H3
InChIKeyHHZAWVQYSFMHGC-UHFFFAOYSA-N
MW366.37 g/mol
LogP5.83
Rot. Bonds5

About N-[(3-bromothiophen-2-yl)-(2,3,5,6-tetramethylphenyl)methyl]propan-1-amine

N-[(3-bromothiophen-2-yl)-(2,3,5,6-tetramethylphenyl)methyl]propan-1-amine (PubChem CID 63797565) has the molecular formula C18H24BrNS and a molecular weight of 366.37 g/mol. Its IUPAC name is N-[(3-bromothiophen-2-yl)-(2,3,5,6-tetramethylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-bromothiophen-2-yl)-(2,3,5,6-tetramethylphenyl)methyl]propan-1-amine
PubChem CID63797565
Molecular FormulaC18H24BrNS
Molecular Weight366.37 g/mol
Exact Mass365.08
IUPAC NameN-[(3-bromothiophen-2-yl)-(2,3,5,6-tetramethylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1sccc1Br)c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C18H24BrNS/c1-6-8-20-17(18-15(19)7-9-21-18)16-13(4)11(2)10-12(3)14(16)5/h7,9-10,17,20H,6,8H2,1-5H3
InChIKeyHHZAWVQYSFMHGC-UHFFFAOYSA-N
XLogP5.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.37
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3-bromothiophen-2-yl)-(2,3,5,6-tetramethylphenyl)methyl]propan-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

N-[(3-bromothiophen-2-yl)-(2-methoxy-4,6-dimethylphenyl)methyl]propan-1-amine
CID 106682117
N-[(5-bromo-4-methylthiophen-2-yl)-(3-bromothiophen-2-yl)methyl]propan-1-amine
CID 79992101
N-[(3-bromothiophen-2-yl)-(4,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 80535679
N-[(3-bromothiophen-2-yl)-(4-fluoro-3,5-dimethylphenyl)methyl]propan-1-amine
CID 65297026
N-[(3-bromothiophen-2-yl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 81277844
N-[(3-bromo-5-methylphenyl)-(3-bromothiophen-2-yl)methyl]propan-1-amine
CID 104851374
N-[(5-bromothiophen-3-yl)-(2,3,5,6-tetramethylphenyl)methyl]propan-1-amine
CID 107960818
N-[(3-bromothiophen-2-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 115380872
N-[(3-bromothiophen-2-yl)-(5-methyl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 105045202
N-[(4-bromo-3,5-dimethylphenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 114330849
N-[(3-bromo-4-methylphenyl)-(3-bromothiophen-2-yl)methyl]ethanamine
CID 81472376
N-[(3-bromo-2-fluorophenyl)-(3-bromothiophen-2-yl)methyl]propan-1-amine
CID 106647972

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromothiophen-2-yl)-(2,3,5,6-tetramethylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(3-bromothiophen-2-yl)-(2,3,5,6-tetramethylphenyl)methyl]propan-1-amine (CID 63797565) is N-[(3-bromothiophen-2-yl)-(2,3,5,6-tetramethylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-bromothiophen-2-yl)-(2,3,5,6-tetramethylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-bromothiophen-2-yl)-(2,3,5,6-tetramethylphenyl)methyl]propan-1-amine is CCCNC(c1sccc1Br)c1c(C)c(C)cc(C)c1C.
What is the InChIKey of N-[(3-bromothiophen-2-yl)-(2,3,5,6-tetramethylphenyl)methyl]propan-1-amine?
The InChIKey is HHZAWVQYSFMHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrNS/c1-6-8-20-17(18-15(19)7-9-21-18)16-13(4)11(2)10-12(3)14(16)5/h7,9-10,17,20H,6,8H2,1-5H3.
What are the key properties of N-[(3-bromothiophen-2-yl)-(2,3,5,6-tetramethylphenyl)methyl]propan-1-amine?
N-[(3-bromothiophen-2-yl)-(2,3,5,6-tetramethylphenyl)methyl]propan-1-amine has a molecular weight of 366.37 g/mol, XLogP of 5.83, 5 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)-(2,3,5,6-tetramethylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 63797565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).