1-(5-bromothiophen-3-yl)-1-(3-ethylphenyl)-N-methylmethanamine

C14H16BrNS — CID 105171222

IUPAC1-(5-bromothiophen-3-yl)-1-(3-ethylphenyl)-N-methylmethanamine
SMILESCCc1cccc(C(NC)c2csc(Br)c2)c1
InChIInChI=1S/C14H16BrNS/c1-3-10-5-4-6-11(7-10)14(16-2)12-8-13(15)17-9-12/h4-9,14,16H,3H2,1-2H3
InChIKeyWYCKPXDCFMUHQD-UHFFFAOYSA-N
MW310.26 g/mol
LogP4.38
Rot. Bonds4

About 1-(5-bromothiophen-3-yl)-1-(3-ethylphenyl)-N-methylmethanamine

1-(5-bromothiophen-3-yl)-1-(3-ethylphenyl)-N-methylmethanamine (PubChem CID 105171222) has the molecular formula C14H16BrNS and a molecular weight of 310.26 g/mol. Its IUPAC name is 1-(5-bromothiophen-3-yl)-1-(3-ethylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-bromothiophen-3-yl)-1-(3-ethylphenyl)-N-methylmethanamine
PubChem CID105171222
Molecular FormulaC14H16BrNS
Molecular Weight310.26 g/mol
Exact Mass309.02
IUPAC Name1-(5-bromothiophen-3-yl)-1-(3-ethylphenyl)-N-methylmethanamine
SMILESCCc1cccc(C(NC)c2csc(Br)c2)c1
InChIInChI=1S/C14H16BrNS/c1-3-10-5-4-6-11(7-10)14(16-2)12-8-13(15)17-9-12/h4-9,14,16H,3H2,1-2H3
InChIKeyWYCKPXDCFMUHQD-UHFFFAOYSA-N
XLogP4.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.26
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylphenyl)-1-(3-ethylphenyl)-N-methylmethanamine
CID 105018579
1-(2-bromo-3-fluorophenyl)-1-(3-ethylphenyl)-N-methylmethanamine
CID 105018490
1-(3-bromo-2-fluorophenyl)-1-(3-ethylphenyl)-N-methylmethanamine
CID 107953458
1-(5-bromothiophen-3-yl)-N-methyl-1-(4-propoxyphenyl)methanamine
CID 105144257
1-(2,6-dichlorophenyl)-1-(3-ethylphenyl)-N-methylmethanamine
CID 105018696
1-(5-bromothiophen-3-yl)-1-(3,4-dichlorophenyl)-N-methylmethanamine
CID 105077014
1-(5-bromothiophen-3-yl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine
CID 107960959
1-(3-ethylphenyl)-N-methyl-1-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 105171257
1-(5-bromothiophen-3-yl)-1-(4-chlorophenyl)-N-methylmethanamine
CID 105076520
1-(3-ethylphenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
CID 105171226
1-(2,3-dihydro-1H-inden-5-yl)-1-(3-ethylphenyl)-N-methylmethanamine
CID 105018724
1-[3-(difluoromethoxy)phenyl]-1-(3-ethylphenyl)-N-methylmethanamine
CID 105018727

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-3-yl)-1-(3-ethylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(5-bromothiophen-3-yl)-1-(3-ethylphenyl)-N-methylmethanamine (CID 105171222) is 1-(5-bromothiophen-3-yl)-1-(3-ethylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-bromothiophen-3-yl)-1-(3-ethylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(5-bromothiophen-3-yl)-1-(3-ethylphenyl)-N-methylmethanamine is CCc1cccc(C(NC)c2csc(Br)c2)c1.
What is the InChIKey of 1-(5-bromothiophen-3-yl)-1-(3-ethylphenyl)-N-methylmethanamine?
The InChIKey is WYCKPXDCFMUHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNS/c1-3-10-5-4-6-11(7-10)14(16-2)12-8-13(15)17-9-12/h4-9,14,16H,3H2,1-2H3.
What are the key properties of 1-(5-bromothiophen-3-yl)-1-(3-ethylphenyl)-N-methylmethanamine?
1-(5-bromothiophen-3-yl)-1-(3-ethylphenyl)-N-methylmethanamine has a molecular weight of 310.26 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-3-yl)-1-(3-ethylphenyl)-N-methylmethanamine is sourced from PubChem (CID 105171222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).