N-[(3-bromo-5-methylphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine

C15H18BrNS — CID 104851277

IUPACN-[(3-bromo-5-methylphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1cc(C)cc(Br)c1)c1sccc1C
InChIInChI=1S/C15H18BrNS/c1-4-17-14(15-11(3)5-6-18-15)12-7-10(2)8-13(16)9-12/h5-9,14,17H,4H2,1-3H3
InChIKeyYLDDCBSJUKURSN-UHFFFAOYSA-N
MW324.29 g/mol
LogP4.83
Rot. Bonds4

About N-[(3-bromo-5-methylphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine

N-[(3-bromo-5-methylphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine (PubChem CID 104851277) has the molecular formula C15H18BrNS and a molecular weight of 324.29 g/mol. Its IUPAC name is N-[(3-bromo-5-methylphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-bromo-5-methylphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
PubChem CID104851277
Molecular FormulaC15H18BrNS
Molecular Weight324.29 g/mol
Exact Mass323.03
IUPAC NameN-[(3-bromo-5-methylphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1cc(C)cc(Br)c1)c1sccc1C
InChIInChI=1S/C15H18BrNS/c1-4-17-14(15-11(3)5-6-18-15)12-7-10(2)8-13(16)9-12/h5-9,14,17H,4H2,1-3H3
InChIKeyYLDDCBSJUKURSN-UHFFFAOYSA-N
XLogP4.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.29
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3-bromo-5-methylphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine with MolForge

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Related Compounds

N-[(3-bromo-5-methylphenyl)-(3-bromothiophen-2-yl)methyl]propan-1-amine
CID 104851374
N-[(4-bromo-3,5-dimethylphenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 114330849
N-[(3-iodophenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 55006868
N-[(3-bromo-5-methylphenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 107130305
N-[(4-methoxyphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 43489161
N-[(3-bromo-5-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 115852310
N-[(3,5-dibromophenyl)-(3,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 107979894
N-[(3-bromo-4-methylphenyl)-(3-bromothiophen-2-yl)methyl]ethanamine
CID 81472376
N-[(3-bromo-5-methylphenyl)-(3,4-dichlorophenyl)methyl]ethanamine
CID 104851219
N-[(2-bromo-4-chlorophenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 114024435
N-[(5-bromo-4-chlorothiophen-2-yl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 80531359
N-[(3-methoxyphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 55007060

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-5-methylphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of N-[(3-bromo-5-methylphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine (CID 104851277) is N-[(3-bromo-5-methylphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-bromo-5-methylphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-bromo-5-methylphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine is CCNC(c1cc(C)cc(Br)c1)c1sccc1C.
What is the InChIKey of N-[(3-bromo-5-methylphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine?
The InChIKey is YLDDCBSJUKURSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNS/c1-4-17-14(15-11(3)5-6-18-15)12-7-10(2)8-13(16)9-12/h5-9,14,17H,4H2,1-3H3.
What are the key properties of N-[(3-bromo-5-methylphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine?
N-[(3-bromo-5-methylphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine has a molecular weight of 324.29 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-5-methylphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 104851277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).