N-[(4,5-dibromothiophen-2-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine

C15H17Br2NS — CID 102835230

IUPACN-[(4,5-dibromothiophen-2-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine
SMILESCC(C)c1ccc(CNCc2cc(Br)c(Br)s2)cc1
InChIInChI=1S/C15H17Br2NS/c1-10(2)12-5-3-11(4-6-12)8-18-9-13-7-14(16)15(17)19-13/h3-7,10,18H,8-9H2,1-2H3
InChIKeyUZFOXWBVMPKZCU-UHFFFAOYSA-N
MW403.18 g/mol
LogP5.69
Rot. Bonds5

About N-[(4,5-dibromothiophen-2-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine

N-[(4,5-dibromothiophen-2-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine (PubChem CID 102835230) has the molecular formula C15H17Br2NS and a molecular weight of 403.18 g/mol. Its IUPAC name is N-[(4,5-dibromothiophen-2-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine.

Molecular Properties

Compound NameN-[(4,5-dibromothiophen-2-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine
PubChem CID102835230
Molecular FormulaC15H17Br2NS
Molecular Weight403.18 g/mol
Exact Mass400.94
IUPAC NameN-[(4,5-dibromothiophen-2-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine
SMILESCC(C)c1ccc(CNCc2cc(Br)c(Br)s2)cc1
InChIInChI=1S/C15H17Br2NS/c1-10(2)12-5-3-11(4-6-12)8-18-9-13-7-14(16)15(17)19-13/h3-7,10,18H,8-9H2,1-2H3
InChIKeyUZFOXWBVMPKZCU-UHFFFAOYSA-N
XLogP5.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.18
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4,5-dibromothiophen-2-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine 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-(4-chlorophenyl)-N-[(4,5-dibromothiophen-2-yl)methyl]methanamine
CID 102831355
N-[(4,5-dibromothiophen-2-yl)methyl]-1-(4-nitrophenyl)methanamine
CID 102834175
1-(5-chlorothiophen-2-yl)-N-[(4,5-dibromothiophen-2-yl)methyl]methanamine
CID 102835913
N-[(4,5-dibromothiophen-2-yl)methyl]-1-(4-fluoro-3,5-dimethylphenyl)methanamine
CID 102836534
4-[[(4-propan-2-ylphenyl)methylamino]methyl]aniline
CID 115212458
1-(4,5-dibromothiophen-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 102834954
1-(2-bromophenyl)-N-[(4,5-dibromothiophen-2-yl)methyl]methanamine
CID 102834984
2-cyclopropyl-N-[(4,5-dibromothiophen-2-yl)methyl]propan-1-amine
CID 102837489
(1S)-N-[(4,5-dibromothiophen-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 102836707
1-(4,5-dibromothiophen-2-yl)-N-methoxymethanamine
CID 102837054
1-(4-propan-2-ylphenyl)-N-(pyridin-4-ylmethyl)methanamine
CID 4723379
1-(4-propan-2-ylphenyl)-N-(thiophen-3-ylmethyl)methanamine
CID 60976741

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dibromothiophen-2-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine?
The IUPAC name of N-[(4,5-dibromothiophen-2-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine (CID 102835230) is N-[(4,5-dibromothiophen-2-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine.
What is the SMILES notation for N-[(4,5-dibromothiophen-2-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine?
The canonical SMILES for N-[(4,5-dibromothiophen-2-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine is CC(C)c1ccc(CNCc2cc(Br)c(Br)s2)cc1.
What is the InChIKey of N-[(4,5-dibromothiophen-2-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine?
The InChIKey is UZFOXWBVMPKZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Br2NS/c1-10(2)12-5-3-11(4-6-12)8-18-9-13-7-14(16)15(17)19-13/h3-7,10,18H,8-9H2,1-2H3.
What are the key properties of N-[(4,5-dibromothiophen-2-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine?
N-[(4,5-dibromothiophen-2-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine has a molecular weight of 403.18 g/mol, XLogP of 5.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dibromothiophen-2-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine is sourced from PubChem (CID 102835230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).