1-(3-bromothiophen-2-yl)-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine

C14H15BrFNS — CID 106877700

IUPAC1-(3-bromothiophen-2-yl)-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine
SMILESCNC(c1sccc1Br)c1c(C)cc(F)cc1C
InChIInChI=1S/C14H15BrFNS/c1-8-6-10(16)7-9(2)12(8)13(17-3)14-11(15)4-5-18-14/h4-7,13,17H,1-3H3
InChIKeyGELRFDUAQQABTB-UHFFFAOYSA-N
MW328.25 g/mol
LogP4.58
Rot. Bonds3

About 1-(3-bromothiophen-2-yl)-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine

1-(3-bromothiophen-2-yl)-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine (PubChem CID 106877700) has the molecular formula C14H15BrFNS and a molecular weight of 328.25 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine
PubChem CID106877700
Molecular FormulaC14H15BrFNS
Molecular Weight328.25 g/mol
Exact Mass327.01
IUPAC Name1-(3-bromothiophen-2-yl)-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine
SMILESCNC(c1sccc1Br)c1c(C)cc(F)cc1C
InChIInChI=1S/C14H15BrFNS/c1-8-6-10(16)7-9(2)12(8)13(17-3)14-11(15)4-5-18-14/h4-7,13,17H,1-3H3
InChIKeyGELRFDUAQQABTB-UHFFFAOYSA-N
XLogP4.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromothiophen-2-yl)-1-(3,4-difluorophenyl)-N-methylmethanamine
CID 63798443
1-(2-bromo-4-fluorophenyl)-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine
CID 106877923
N-[(3-bromothiophen-2-yl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 81277844
1-(4-bromo-3-chlorophenyl)-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine
CID 106877683
1-(3-bromothiophen-2-yl)-1-(2,3-difluorophenyl)-N-methylmethanamine
CID 80534877
N-[(3-bromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methyl]propan-2-amine
CID 79724075
3-bromo-2-[bromo-(2,4,6-trimethylphenyl)methyl]thiophene
CID 63796148
1-(5-bromo-4-chlorothiophen-2-yl)-1-(3-bromothiophen-2-yl)-N-methylmethanamine
CID 80530701
1-(4-bromo-2-chlorophenyl)-1-(3-bromothiophen-2-yl)-N-methylmethanamine
CID 80535100
N-[(3-bromothiophen-2-yl)-(4-fluoro-3,5-dimethylphenyl)methyl]propan-1-amine
CID 65297026
N-[(3-bromothiophen-2-yl)-(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 79746478
[(3-bromothiophen-2-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine
CID 105208216

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine (CID 106877700) is 1-(3-bromothiophen-2-yl)-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine is CNC(c1sccc1Br)c1c(C)cc(F)cc1C.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine?
The InChIKey is GELRFDUAQQABTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFNS/c1-8-6-10(16)7-9(2)12(8)13(17-3)14-11(15)4-5-18-14/h4-7,13,17H,1-3H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine?
1-(3-bromothiophen-2-yl)-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine has a molecular weight of 328.25 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine is sourced from PubChem (CID 106877700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).