N-[(4-bromo-2-fluorophenyl)methyl]-N-methyl-2-thiophen-2-ylethanamine

C14H15BrFNS — CID 79038374

IUPACN-[(4-bromo-2-fluorophenyl)methyl]-N-methyl-2-thiophen-2-ylethanamine
SMILESCN(CCc1cccs1)Cc1ccc(Br)cc1F
InChIInChI=1S/C14H15BrFNS/c1-17(7-6-13-3-2-8-18-13)10-11-4-5-12(15)9-14(11)16/h2-5,8-9H,6-7,10H2,1H3
InChIKeyDUFNTXKDCYBULZ-UHFFFAOYSA-N
MW328.25 g/mol
LogP4.32
Rot. Bonds5

About N-[(4-bromo-2-fluorophenyl)methyl]-N-methyl-2-thiophen-2-ylethanamine

N-[(4-bromo-2-fluorophenyl)methyl]-N-methyl-2-thiophen-2-ylethanamine (PubChem CID 79038374) has the molecular formula C14H15BrFNS and a molecular weight of 328.25 g/mol. Its IUPAC name is N-[(4-bromo-2-fluorophenyl)methyl]-N-methyl-2-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[(4-bromo-2-fluorophenyl)methyl]-N-methyl-2-thiophen-2-ylethanamine
PubChem CID79038374
Molecular FormulaC14H15BrFNS
Molecular Weight328.25 g/mol
Exact Mass327.01
IUPAC NameN-[(4-bromo-2-fluorophenyl)methyl]-N-methyl-2-thiophen-2-ylethanamine
SMILESCN(CCc1cccs1)Cc1ccc(Br)cc1F
InChIInChI=1S/C14H15BrFNS/c1-17(7-6-13-3-2-8-18-13)10-11-4-5-12(15)9-14(11)16/h2-5,8-9H,6-7,10H2,1H3
InChIKeyDUFNTXKDCYBULZ-UHFFFAOYSA-N
XLogP4.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 79036891
N-[(4-bromo-2-fluorophenyl)methyl]-2-chloro-N-methylethanamine
CID 63386609
4-fluoro-2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]benzoic acid
CID 107908041
N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine
CID 78989434
2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]aniline
CID 63774945
4-(aminomethyl)-3-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)aniline
CID 115366924
N-[(2-chlorophenyl)methyl]-N-methyl-2-thiophen-2-ylethanamine;hydrochloride
CID 71750260
4-bromo-2-N-methyl-2-N-(2-thiophen-2-ylethyl)benzene-1,2-diamine
CID 79475851
2-fluoro-5-[[methyl(2-thiophen-2-ylethyl)amino]methyl]benzonitrile
CID 103758567
1-(4-bromo-2-fluorophenyl)-2-thiophen-2-ylethanone
CID 61056501
5-bromo-2-chloro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 79036874
5-bromo-N-methyl-2-(propylaminomethyl)-N-(2-thiophen-2-ylethyl)aniline
CID 79488935

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-fluorophenyl)methyl]-N-methyl-2-thiophen-2-ylethanamine?
The IUPAC name of N-[(4-bromo-2-fluorophenyl)methyl]-N-methyl-2-thiophen-2-ylethanamine (CID 79038374) is N-[(4-bromo-2-fluorophenyl)methyl]-N-methyl-2-thiophen-2-ylethanamine.
What is the SMILES notation for N-[(4-bromo-2-fluorophenyl)methyl]-N-methyl-2-thiophen-2-ylethanamine?
The canonical SMILES for N-[(4-bromo-2-fluorophenyl)methyl]-N-methyl-2-thiophen-2-ylethanamine is CN(CCc1cccs1)Cc1ccc(Br)cc1F.
What is the InChIKey of N-[(4-bromo-2-fluorophenyl)methyl]-N-methyl-2-thiophen-2-ylethanamine?
The InChIKey is DUFNTXKDCYBULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFNS/c1-17(7-6-13-3-2-8-18-13)10-11-4-5-12(15)9-14(11)16/h2-5,8-9H,6-7,10H2,1H3.
What are the key properties of N-[(4-bromo-2-fluorophenyl)methyl]-N-methyl-2-thiophen-2-ylethanamine?
N-[(4-bromo-2-fluorophenyl)methyl]-N-methyl-2-thiophen-2-ylethanamine has a molecular weight of 328.25 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-fluorophenyl)methyl]-N-methyl-2-thiophen-2-ylethanamine is sourced from PubChem (CID 79038374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).