N-[(4-bromothiophen-2-yl)methyl]-1-(2-methylphenyl)ethanamine

C14H16BrNS — CID 43085346

IUPACN-[(4-bromothiophen-2-yl)methyl]-1-(2-methylphenyl)ethanamine
SMILESCc1ccccc1C(C)NCc1cc(Br)cs1
InChIInChI=1S/C14H16BrNS/c1-10-5-3-4-6-14(10)11(2)16-8-13-7-12(15)9-17-13/h3-7,9,11,16H,8H2,1-2H3
InChIKeyQJSPQFYKEMMHCT-UHFFFAOYSA-N
MW310.26 g/mol
LogP4.67
Rot. Bonds4

About N-[(4-bromothiophen-2-yl)methyl]-1-(2-methylphenyl)ethanamine

N-[(4-bromothiophen-2-yl)methyl]-1-(2-methylphenyl)ethanamine (PubChem CID 43085346) has the molecular formula C14H16BrNS and a molecular weight of 310.26 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-1-(2-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-1-(2-methylphenyl)ethanamine
PubChem CID43085346
Molecular FormulaC14H16BrNS
Molecular Weight310.26 g/mol
Exact Mass309.02
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-1-(2-methylphenyl)ethanamine
SMILESCc1ccccc1C(C)NCc1cc(Br)cs1
InChIInChI=1S/C14H16BrNS/c1-10-5-3-4-6-14(10)11(2)16-8-13-7-12(15)9-17-13/h3-7,9,11,16H,8H2,1-2H3
InChIKeyQJSPQFYKEMMHCT-UHFFFAOYSA-N
XLogP4.67
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 ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromothiophen-2-yl)methyl]-1-(2-propan-2-yloxyphenyl)ethanamine
CID 43612823
1-(2-methylphenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
CID 43433657
(1R)-1-(2-methylphenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
CID 81354936
(1S)-N-[(4-bromothiophen-2-yl)methyl]-1-thiophen-2-ylethanamine
CID 28833552
(1R)-1-(2-methylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 81373323
1-(4-bromothiophen-2-yl)-N-[(4-bromothiophen-2-yl)methyl]ethanamine
CID 107167279
N-[(4-bromothiophen-2-yl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 43223373
(1R)-1-(2-methylphenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 29053404
(1R)-N-[(4-bromo-3-methylphenyl)methyl]-1-(2-methylphenyl)ethanamine
CID 81373666
(1S)-N-[(5-ethylthiophen-2-yl)methyl]-1-(2-methylphenyl)ethanamine
CID 81375029
(2R)-N-[(4-bromothiophen-2-yl)methyl]-4-phenylbutan-2-amine
CID 28833188
(1S)-N-[(3,4-dibromophenyl)methyl]-1-(2-methylphenyl)ethanamine
CID 104865448

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-1-(2-methylphenyl)ethanamine?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-1-(2-methylphenyl)ethanamine (CID 43085346) is N-[(4-bromothiophen-2-yl)methyl]-1-(2-methylphenyl)ethanamine.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-1-(2-methylphenyl)ethanamine?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-1-(2-methylphenyl)ethanamine is Cc1ccccc1C(C)NCc1cc(Br)cs1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-1-(2-methylphenyl)ethanamine?
The InChIKey is QJSPQFYKEMMHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNS/c1-10-5-3-4-6-14(10)11(2)16-8-13-7-12(15)9-17-13/h3-7,9,11,16H,8H2,1-2H3.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-1-(2-methylphenyl)ethanamine?
N-[(4-bromothiophen-2-yl)methyl]-1-(2-methylphenyl)ethanamine has a molecular weight of 310.26 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-1-(2-methylphenyl)ethanamine is sourced from PubChem (CID 43085346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).