N-[(4-bromo-3,5-dimethylphenyl)-thiophen-3-ylmethyl]ethanamine

C15H18BrNS — CID 114330646

IUPACN-[(4-bromo-3,5-dimethylphenyl)-thiophen-3-ylmethyl]ethanamine
SMILESCCNC(c1ccsc1)c1cc(C)c(Br)c(C)c1
InChIInChI=1S/C15H18BrNS/c1-4-17-15(12-5-6-18-9-12)13-7-10(2)14(16)11(3)8-13/h5-9,15,17H,4H2,1-3H3
InChIKeyGZMPKRBVTCCKLC-UHFFFAOYSA-N
MW324.29 g/mol
LogP4.83
Rot. Bonds4

About N-[(4-bromo-3,5-dimethylphenyl)-thiophen-3-ylmethyl]ethanamine

N-[(4-bromo-3,5-dimethylphenyl)-thiophen-3-ylmethyl]ethanamine (PubChem CID 114330646) has the molecular formula C15H18BrNS and a molecular weight of 324.29 g/mol. Its IUPAC name is N-[(4-bromo-3,5-dimethylphenyl)-thiophen-3-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(4-bromo-3,5-dimethylphenyl)-thiophen-3-ylmethyl]ethanamine
PubChem CID114330646
Molecular FormulaC15H18BrNS
Molecular Weight324.29 g/mol
Exact Mass323.03
IUPAC NameN-[(4-bromo-3,5-dimethylphenyl)-thiophen-3-ylmethyl]ethanamine
SMILESCCNC(c1ccsc1)c1cc(C)c(Br)c(C)c1
InChIInChI=1S/C15H18BrNS/c1-4-17-15(12-5-6-18-9-12)13-7-10(2)14(16)11(3)8-13/h5-9,15,17H,4H2,1-3H3
InChIKeyGZMPKRBVTCCKLC-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

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Related Compounds

N-[(4-fluoro-3-methylphenyl)-thiophen-3-ylmethyl]ethanamine
CID 62791707
N-[(4-bromo-3,5-dimethylphenyl)-(4-ethylphenyl)methyl]ethanamine
CID 114330651
N-[(4-fluoro-2,6-dimethylphenyl)-thiophen-3-ylmethyl]ethanamine
CID 106878151
N-[(2,3,4,5,6-pentamethylphenyl)-thiophen-3-ylmethyl]ethanamine
CID 43489786
N-[(4-bromo-3,5-dimethylphenyl)-(3,4-difluorophenyl)methyl]ethanamine
CID 114330705
N-[(3,4-dichlorophenyl)-thiophen-3-ylmethyl]ethanamine
CID 43492782
N-[(4-bromonaphthalen-1-yl)-thiophen-3-ylmethyl]ethanamine
CID 79597209
N-[(4-bromo-1-methylpyrazol-5-yl)-thiophen-3-ylmethyl]ethanamine
CID 114647272
N-[(4-methoxyphenyl)-thiophen-3-ylmethyl]ethanamine
CID 43489158
N-[(4-bromo-3,5-dimethylphenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine
CID 114330731
N-[(2-methylquinolin-6-yl)-thiophen-3-ylmethyl]ethanamine
CID 81220693
N-[[4-(2-methylpropyl)phenyl]-thiophen-3-ylmethyl]ethanamine
CID 43488230

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-3,5-dimethylphenyl)-thiophen-3-ylmethyl]ethanamine?
The IUPAC name of N-[(4-bromo-3,5-dimethylphenyl)-thiophen-3-ylmethyl]ethanamine (CID 114330646) is N-[(4-bromo-3,5-dimethylphenyl)-thiophen-3-ylmethyl]ethanamine.
What is the SMILES notation for N-[(4-bromo-3,5-dimethylphenyl)-thiophen-3-ylmethyl]ethanamine?
The canonical SMILES for N-[(4-bromo-3,5-dimethylphenyl)-thiophen-3-ylmethyl]ethanamine is CCNC(c1ccsc1)c1cc(C)c(Br)c(C)c1.
What is the InChIKey of N-[(4-bromo-3,5-dimethylphenyl)-thiophen-3-ylmethyl]ethanamine?
The InChIKey is GZMPKRBVTCCKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNS/c1-4-17-15(12-5-6-18-9-12)13-7-10(2)14(16)11(3)8-13/h5-9,15,17H,4H2,1-3H3.
What are the key properties of N-[(4-bromo-3,5-dimethylphenyl)-thiophen-3-ylmethyl]ethanamine?
N-[(4-bromo-3,5-dimethylphenyl)-thiophen-3-ylmethyl]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-[(4-bromo-3,5-dimethylphenyl)-thiophen-3-ylmethyl]ethanamine is sourced from PubChem (CID 114330646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).