N-[(5-bromothiophen-3-yl)-(2,5-diethylphenyl)methyl]ethanamine

C17H22BrNS — CID 107961012

IUPACN-[(5-bromothiophen-3-yl)-(2,5-diethylphenyl)methyl]ethanamine
SMILESCCNC(c1csc(Br)c1)c1cc(CC)ccc1CC
InChIInChI=1S/C17H22BrNS/c1-4-12-7-8-13(5-2)15(9-12)17(19-6-3)14-10-16(18)20-11-14/h7-11,17,19H,4-6H2,1-3H3
InChIKeyOLBYBQJBQKELOA-UHFFFAOYSA-N
MW352.34 g/mol
LogP5.33
Rot. Bonds6

About N-[(5-bromothiophen-3-yl)-(2,5-diethylphenyl)methyl]ethanamine

N-[(5-bromothiophen-3-yl)-(2,5-diethylphenyl)methyl]ethanamine (PubChem CID 107961012) has the molecular formula C17H22BrNS and a molecular weight of 352.34 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)-(2,5-diethylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)-(2,5-diethylphenyl)methyl]ethanamine
PubChem CID107961012
Molecular FormulaC17H22BrNS
Molecular Weight352.34 g/mol
Exact Mass351.07
IUPAC NameN-[(5-bromothiophen-3-yl)-(2,5-diethylphenyl)methyl]ethanamine
SMILESCCNC(c1csc(Br)c1)c1cc(CC)ccc1CC
InChIInChI=1S/C17H22BrNS/c1-4-12-7-8-13(5-2)15(9-12)17(19-6-3)14-10-16(18)20-11-14/h7-11,17,19H,4-6H2,1-3H3
InChIKeyOLBYBQJBQKELOA-UHFFFAOYSA-N
XLogP5.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.34
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,5-diethylphenyl)-(5-iodothiophen-3-yl)methyl]propan-1-amine
CID 79691318
N-[(3-chlorothiophen-2-yl)-(2,5-diethylphenyl)methyl]ethanamine
CID 80645048
N-[(3-chloro-4-methylthiophen-2-yl)-(2,5-diethylphenyl)methyl]ethanamine
CID 103401153
1-(5-bromothiophen-3-yl)-1-(3-ethylphenyl)-N-methylmethanamine
CID 105171222
N-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(5-bromothiophen-3-yl)methyl]ethanamine
CID 107960779
N-[(4-ethylphenyl)-(5-methylthiophen-3-yl)methyl]ethanamine
CID 65104551
N-[(5-bromothiophen-3-yl)-pyridin-3-ylmethyl]ethanamine
CID 105098243
N-[(5-bromothiophen-3-yl)-(4-propylphenyl)methyl]propan-1-amine
CID 105144437
N-[(5-bromothiophen-3-yl)-(3-chloro-2,4-dimethoxyphenyl)methyl]ethanamine
CID 107961375
2-(4-bromophenyl)-1-(5-bromothiophen-3-yl)-N-ethylethanamine
CID 105089055
N-[(5-bromothiophen-3-yl)-(1-methylpyrazol-3-yl)methyl]ethanamine
CID 103135400
2-(difluoromethyl)-1,4-diethylbenzene
CID 143346890

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)-(2,5-diethylphenyl)methyl]ethanamine?
The IUPAC name of N-[(5-bromothiophen-3-yl)-(2,5-diethylphenyl)methyl]ethanamine (CID 107961012) is N-[(5-bromothiophen-3-yl)-(2,5-diethylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)-(2,5-diethylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(5-bromothiophen-3-yl)-(2,5-diethylphenyl)methyl]ethanamine is CCNC(c1csc(Br)c1)c1cc(CC)ccc1CC.
What is the InChIKey of N-[(5-bromothiophen-3-yl)-(2,5-diethylphenyl)methyl]ethanamine?
The InChIKey is OLBYBQJBQKELOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrNS/c1-4-12-7-8-13(5-2)15(9-12)17(19-6-3)14-10-16(18)20-11-14/h7-11,17,19H,4-6H2,1-3H3.
What are the key properties of N-[(5-bromothiophen-3-yl)-(2,5-diethylphenyl)methyl]ethanamine?
N-[(5-bromothiophen-3-yl)-(2,5-diethylphenyl)methyl]ethanamine has a molecular weight of 352.34 g/mol, XLogP of 5.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-3-yl)-(2,5-diethylphenyl)methyl]ethanamine is sourced from PubChem (CID 107961012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).