1-(4-bromophenyl)-N-(thiophen-2-ylmethyl)methanamine

C12H12BrNS — CID 834255

IUPAC1-(4-bromophenyl)-N-(thiophen-2-ylmethyl)methanamine
SMILESBrc1ccc(CNCc2cccs2)cc1
InChIInChI=1S/C12H12BrNS/c13-11-5-3-10(4-6-11)8-14-9-12-2-1-7-15-12/h1-7,14H,8-9H2
InChIKeyCQRMPPYXHRNRII-UHFFFAOYSA-N
MW282.21 g/mol
LogP3.80
Rot. Bonds4

About 1-(4-bromophenyl)-N-(thiophen-2-ylmethyl)methanamine

1-(4-bromophenyl)-N-(thiophen-2-ylmethyl)methanamine (PubChem CID 834255) has the molecular formula C12H12BrNS and a molecular weight of 282.21 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-(thiophen-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-(thiophen-2-ylmethyl)methanamine
PubChem CID834255
Molecular FormulaC12H12BrNS
Molecular Weight282.21 g/mol
Exact Mass280.99
IUPAC Name1-(4-bromophenyl)-N-(thiophen-2-ylmethyl)methanamine
SMILESBrc1ccc(CNCc2cccs2)cc1
InChIInChI=1S/C12H12BrNS/c13-11-5-3-10(4-6-11)8-14-9-12-2-1-7-15-12/h1-7,14H,8-9H2
InChIKeyCQRMPPYXHRNRII-UHFFFAOYSA-N
XLogP3.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.21
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(p-Bromophenyl)thiazolidine
CID 2771064
Tifacogin
CID 961320
Benzyl(1-(thiophen-2-yl)propan-2-yl)amine
CID 4868418
Phenethyl-thiophen-2-ylmethyl-amine hydrochloride
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6-(4-Bromophenyl)-4-(thiophen-2-yl)-1,6-dihydropyrimidine-2-thiol
CID 2885579
N-benzylthiophene-2-carbothioamide
CID 5298964
2-Methyl-4-(p-bromophenyl)-4,5,6,7-tetrahydro-thieno[2,3-c]pyridine hydrochloride
CID 20546729
1-{[5-(4-Bromophenyl)thiophen-2-yl]methyl}piperazine
CID 42951112
N-(3-bromobenzyl)-N-(2-thienylmethyl)amine
CID 834209
3-(4-bromophenyl)-N-(2-thienylmethyl)acrylamide
CID 887870
N-benzyl(5-methyl-2-thienyl)methanamine
CID 4721388
1-[1-[2-(4-bromophenyl)ethyl]piperidin-4-yl]-N-methyl-N-(thiophen-3-ylmethyl)methanamine
CID 168279054

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-(thiophen-2-ylmethyl)methanamine?
The IUPAC name of 1-(4-bromophenyl)-N-(thiophen-2-ylmethyl)methanamine (CID 834255) is 1-(4-bromophenyl)-N-(thiophen-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(4-bromophenyl)-N-(thiophen-2-ylmethyl)methanamine?
The canonical SMILES for 1-(4-bromophenyl)-N-(thiophen-2-ylmethyl)methanamine is Brc1ccc(CNCc2cccs2)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-(thiophen-2-ylmethyl)methanamine?
The InChIKey is CQRMPPYXHRNRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNS/c13-11-5-3-10(4-6-11)8-14-9-12-2-1-7-15-12/h1-7,14H,8-9H2.
What are the key properties of 1-(4-bromophenyl)-N-(thiophen-2-ylmethyl)methanamine?
1-(4-bromophenyl)-N-(thiophen-2-ylmethyl)methanamine has a molecular weight of 282.21 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-(thiophen-2-ylmethyl)methanamine is sourced from PubChem (CID 834255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).