N-[(4,5-dibromothiophen-2-yl)-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine

C14H17Br2NS2 — CID 81155911

IUPACN-[(4,5-dibromothiophen-2-yl)-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(Br)c(Br)s1)c1sc(C)cc1C
InChIInChI=1S/C14H17Br2NS2/c1-4-5-17-12(11-7-10(15)14(16)19-11)13-8(2)6-9(3)18-13/h6-7,12,17H,4-5H2,1-3H3
InChIKeyFYZLJCIHZXNKQT-UHFFFAOYSA-N
MW423.24 g/mol
LogP6.04
Rot. Bonds5

About N-[(4,5-dibromothiophen-2-yl)-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine

N-[(4,5-dibromothiophen-2-yl)-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine (PubChem CID 81155911) has the molecular formula C14H17Br2NS2 and a molecular weight of 423.24 g/mol. Its IUPAC name is N-[(4,5-dibromothiophen-2-yl)-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4,5-dibromothiophen-2-yl)-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine
PubChem CID81155911
Molecular FormulaC14H17Br2NS2
Molecular Weight423.24 g/mol
Exact Mass420.92
IUPAC NameN-[(4,5-dibromothiophen-2-yl)-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(Br)c(Br)s1)c1sc(C)cc1C
InChIInChI=1S/C14H17Br2NS2/c1-4-5-17-12(11-7-10(15)14(16)19-11)13-8(2)6-9(3)18-13/h6-7,12,17H,4-5H2,1-3H3
InChIKeyFYZLJCIHZXNKQT-UHFFFAOYSA-N
XLogP6.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.24
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4,5-dibromothiophen-2-yl)-(3,5-dimethylthiophen-2-yl)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-[(2,5-dibromothiophen-3-yl)-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 107961210
N-[(2,5-dibromophenyl)-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 114369209
N-[(5-bromo-4-methylthiophen-2-yl)-(3-bromothiophen-2-yl)methyl]propan-1-amine
CID 79992101
N-[(3-chloro-2-methylphenyl)-(4,5-dibromothiophen-2-yl)methyl]propan-1-amine
CID 107096598
N-[(4,5-dibromothiophen-2-yl)-(4-iodophenyl)methyl]propan-1-amine
CID 80535599
N-[(3,5-dichlorophenyl)-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 81157391
N-[(3,5-dimethylthiophen-2-yl)-(2-methylphenyl)methyl]propan-1-amine
CID 81155528
N-[(4,5-dibromothiophen-2-yl)-(2,6-difluorophenyl)methyl]propan-1-amine
CID 80534014
N-[6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 81266374
N-[(4,5-dibromothiophen-2-yl)-(2-fluorophenyl)methyl]propan-1-amine
CID 80535409
1-(3-bromo-5-methylthiophen-2-yl)-N-propylpropan-1-amine
CID 65278886
N-[(5-bromo-4-methylthiophen-2-yl)-(2,4,5-trimethylphenyl)methyl]propan-1-amine
CID 104990355

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dibromothiophen-2-yl)-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(4,5-dibromothiophen-2-yl)-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine (CID 81155911) is N-[(4,5-dibromothiophen-2-yl)-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4,5-dibromothiophen-2-yl)-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(4,5-dibromothiophen-2-yl)-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine is CCCNC(c1cc(Br)c(Br)s1)c1sc(C)cc1C.
What is the InChIKey of N-[(4,5-dibromothiophen-2-yl)-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine?
The InChIKey is FYZLJCIHZXNKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Br2NS2/c1-4-5-17-12(11-7-10(15)14(16)19-11)13-8(2)6-9(3)18-13/h6-7,12,17H,4-5H2,1-3H3.
What are the key properties of N-[(4,5-dibromothiophen-2-yl)-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine?
N-[(4,5-dibromothiophen-2-yl)-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine has a molecular weight of 423.24 g/mol, XLogP of 6.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dibromothiophen-2-yl)-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 81155911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).