N-[(4-bromothiophen-2-yl)-(3-fluoro-4-methylphenyl)methyl]ethanamine

C14H15BrFNS — CID 107128744

IUPACN-[(4-bromothiophen-2-yl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)c(F)c1)c1cc(Br)cs1
InChIInChI=1S/C14H15BrFNS/c1-3-17-14(13-7-11(15)8-18-13)10-5-4-9(2)12(16)6-10/h4-8,14,17H,3H2,1-2H3
InChIKeySJQIXPMPUYOUNA-UHFFFAOYSA-N
MW328.25 g/mol
LogP4.66
Rot. Bonds4

About N-[(4-bromothiophen-2-yl)-(3-fluoro-4-methylphenyl)methyl]ethanamine

N-[(4-bromothiophen-2-yl)-(3-fluoro-4-methylphenyl)methyl]ethanamine (PubChem CID 107128744) has the molecular formula C14H15BrFNS and a molecular weight of 328.25 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)-(3-fluoro-4-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
PubChem CID107128744
Molecular FormulaC14H15BrFNS
Molecular Weight328.25 g/mol
Exact Mass327.01
IUPAC NameN-[(4-bromothiophen-2-yl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)c(F)c1)c1cc(Br)cs1
InChIInChI=1S/C14H15BrFNS/c1-3-17-14(13-7-11(15)8-18-13)10-5-4-9(2)12(16)6-10/h4-8,14,17H,3H2,1-2H3
InChIKeySJQIXPMPUYOUNA-UHFFFAOYSA-N
XLogP4.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4-bromothiophen-2-yl)-(3-fluoro-4-methylphenyl)methyl]ethanamine 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-fluoro-4-methylphenyl)-(1,3-thiazol-5-yl)methyl]ethanamine
CID 107129039
N-[(3-bromo-5-methylphenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 107130305
N-[(3,4-dichlorophenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 43492849
N-[(4-chloro-3-methylphenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 107130379
N-[(3-fluoro-4-methylphenyl)-pyrimidin-2-ylmethyl]ethanamine
CID 107128679
N-[(2,4-difluorophenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 43491057
N-[(4-bromothiophen-2-yl)-(2,3-difluoro-4-methylphenyl)methyl]propan-1-amine
CID 107513392
N-[(3-fluoro-4-methylphenyl)-(4-methylthiadiazol-5-yl)methyl]ethanamine
CID 107130257
N-[(4-ethoxyphenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 43489450
N-[(5-bromo-4-chlorothiophen-2-yl)-(3-fluoro-4-methylphenyl)methyl]propan-1-amine
CID 80532108
N-[(4-bromo-3,5-dimethylphenyl)-(3,4-difluorophenyl)methyl]ethanamine
CID 114330705
N-[(3-fluoro-4-methylphenyl)-(2-methylfuran-3-yl)methyl]ethanamine
CID 107129150

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)-(3-fluoro-4-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[(4-bromothiophen-2-yl)-(3-fluoro-4-methylphenyl)methyl]ethanamine (CID 107128744) is N-[(4-bromothiophen-2-yl)-(3-fluoro-4-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)-(3-fluoro-4-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(4-bromothiophen-2-yl)-(3-fluoro-4-methylphenyl)methyl]ethanamine is CCNC(c1ccc(C)c(F)c1)c1cc(Br)cs1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)-(3-fluoro-4-methylphenyl)methyl]ethanamine?
The InChIKey is SJQIXPMPUYOUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFNS/c1-3-17-14(13-7-11(15)8-18-13)10-5-4-9(2)12(16)6-10/h4-8,14,17H,3H2,1-2H3.
What are the key properties of N-[(4-bromothiophen-2-yl)-(3-fluoro-4-methylphenyl)methyl]ethanamine?
N-[(4-bromothiophen-2-yl)-(3-fluoro-4-methylphenyl)methyl]ethanamine has a molecular weight of 328.25 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)-(3-fluoro-4-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 107128744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).