N-[(5-bromothiophen-2-yl)-(2-methylphenyl)methyl]ethanamine

C14H16BrNS — CID 61103990

IUPACN-[(5-bromothiophen-2-yl)-(2-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Br)s1)c1ccccc1C
InChIInChI=1S/C14H16BrNS/c1-3-16-14(12-8-9-13(15)17-12)11-7-5-4-6-10(11)2/h4-9,14,16H,3H2,1-2H3
InChIKeyLOFWBVJYBPFVBB-UHFFFAOYSA-N
MW310.26 g/mol
LogP4.52
Rot. Bonds4

About N-[(5-bromothiophen-2-yl)-(2-methylphenyl)methyl]ethanamine

N-[(5-bromothiophen-2-yl)-(2-methylphenyl)methyl]ethanamine (PubChem CID 61103990) has the molecular formula C14H16BrNS and a molecular weight of 310.26 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)-(2-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)-(2-methylphenyl)methyl]ethanamine
PubChem CID61103990
Molecular FormulaC14H16BrNS
Molecular Weight310.26 g/mol
Exact Mass309.02
IUPAC NameN-[(5-bromothiophen-2-yl)-(2-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Br)s1)c1ccccc1C
InChIInChI=1S/C14H16BrNS/c1-3-16-14(12-8-9-13(15)17-12)11-7-5-4-6-10(11)2/h4-9,14,16H,3H2,1-2H3
InChIKeyLOFWBVJYBPFVBB-UHFFFAOYSA-N
XLogP4.52
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 ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4,5-dibromothiophen-2-yl)-(2-methylphenyl)methyl]ethanamine
CID 80533829
N-[(5-bromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methyl]ethanamine
CID 79724246
N-[(5-bromo-2-fluorophenyl)-(5-bromothiophen-2-yl)methyl]ethanamine
CID 61104179
N-[(5-bromothiophen-2-yl)-(2-fluorophenyl)methyl]propan-1-amine
CID 61102833
N-[(5-bromothiophen-2-yl)-(2,3,4,5,6-pentafluorophenyl)methyl]ethanamine
CID 61103404
N-[(2-bromophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 43488450
N-[(5-bromothiophen-2-yl)-(2,4-dimethylphenyl)methyl]propan-1-amine
CID 43495485
N-[(5-bromothiophen-2-yl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine
CID 43492175
1-(5-bromothiophen-2-yl)-1-(2,3-dimethylphenyl)-N-methylmethanamine
CID 61103986
N-[(5-bromothiophen-2-yl)-(4,5-dibromothiophen-2-yl)methyl]ethanamine
CID 80533919
N-[(5-bromothiophen-2-yl)-(3,4-dihydro-2H-chromen-8-yl)methyl]ethanamine
CID 114745403
N-[(5-bromo-2-ethoxyphenyl)-(5-bromothiophen-2-yl)methyl]ethanamine
CID 43493518

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)-(2-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[(5-bromothiophen-2-yl)-(2-methylphenyl)methyl]ethanamine (CID 61103990) is N-[(5-bromothiophen-2-yl)-(2-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)-(2-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(5-bromothiophen-2-yl)-(2-methylphenyl)methyl]ethanamine is CCNC(c1ccc(Br)s1)c1ccccc1C.
What is the InChIKey of N-[(5-bromothiophen-2-yl)-(2-methylphenyl)methyl]ethanamine?
The InChIKey is LOFWBVJYBPFVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNS/c1-3-16-14(12-8-9-13(15)17-12)11-7-5-4-6-10(11)2/h4-9,14,16H,3H2,1-2H3.
What are the key properties of N-[(5-bromothiophen-2-yl)-(2-methylphenyl)methyl]ethanamine?
N-[(5-bromothiophen-2-yl)-(2-methylphenyl)methyl]ethanamine has a molecular weight of 310.26 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)-(2-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 61103990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).