1-[5-(3-bromophenyl)thiophen-2-yl]-N-methylmethanamine

C12H12BrNS — CID 43275238

IUPAC1-[5-(3-bromophenyl)thiophen-2-yl]-N-methylmethanamine
SMILESCNCc1ccc(-c2cccc(Br)c2)s1
InChIInChI=1S/C12H12BrNS/c1-14-8-11-5-6-12(15-11)9-3-2-4-10(13)7-9/h2-7,14H,8H2,1H3
InChIKeyGFABPOUFSUVUKX-UHFFFAOYSA-N
MW282.21 g/mol
LogP3.90
Rot. Bonds3

About 1-[5-(3-bromophenyl)thiophen-2-yl]-N-methylmethanamine

1-[5-(3-bromophenyl)thiophen-2-yl]-N-methylmethanamine (PubChem CID 43275238) has the molecular formula C12H12BrNS and a molecular weight of 282.21 g/mol. Its IUPAC name is 1-[5-(3-bromophenyl)thiophen-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(3-bromophenyl)thiophen-2-yl]-N-methylmethanamine
PubChem CID43275238
Molecular FormulaC12H12BrNS
Molecular Weight282.21 g/mol
Exact Mass280.99
IUPAC Name1-[5-(3-bromophenyl)thiophen-2-yl]-N-methylmethanamine
SMILESCNCc1ccc(-c2cccc(Br)c2)s1
InChIInChI=1S/C12H12BrNS/c1-14-8-11-5-6-12(15-11)9-3-2-4-10(13)7-9/h2-7,14H,8H2,1H3
InChIKeyGFABPOUFSUVUKX-UHFFFAOYSA-N
XLogP3.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.21
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(3-iodophenyl)thiophen-2-yl]-N-methylmethanamine
CID 43287325
N-[2-[[5-(3-bromophenyl)thiophen-2-yl]methylamino]ethyl]methanesulfonamide
CID 49463632
2-[5-(3-bromophenyl)thiophen-2-yl]-N,2-dimethylpropan-1-amine
CID 84606208
2-[[5-(3-bromophenyl)thiophen-2-yl]methylamino]-4-methylpentanoic acid
CID 120510018
1-[5-(4-iodophenyl)thiophen-2-yl]-N-methylmethanamine
CID 43287320
1-[5-(3-bromo-2-methylphenyl)thiophen-2-yl]-N-methylmethanamine
CID 107626419
1-[5-(4-chloro-3-fluorophenyl)thiophen-2-yl]-N-methylmethanamine
CID 61470195
2-methyl-N-[(5-phenylthiophen-2-yl)methyl]propan-2-amine
CID 43434173
N-methyl-1-(5-quinolin-6-ylthiophen-2-yl)methanamine
CID 62635117
ethyl 2-amino-3-[5-(3-bromophenyl)thiophen-2-yl]propanoate
CID 170885651
1-[3-(3-bromophenyl)furan-2-yl]-N-methylmethanamine
CID 106887821
N-[[5-(3-methylphenyl)thiophen-2-yl]methyl]ethanamine
CID 43287254

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-bromophenyl)thiophen-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(3-bromophenyl)thiophen-2-yl]-N-methylmethanamine (CID 43275238) is 1-[5-(3-bromophenyl)thiophen-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(3-bromophenyl)thiophen-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(3-bromophenyl)thiophen-2-yl]-N-methylmethanamine is CNCc1ccc(-c2cccc(Br)c2)s1.
What is the InChIKey of 1-[5-(3-bromophenyl)thiophen-2-yl]-N-methylmethanamine?
The InChIKey is GFABPOUFSUVUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNS/c1-14-8-11-5-6-12(15-11)9-3-2-4-10(13)7-9/h2-7,14H,8H2,1H3.
What are the key properties of 1-[5-(3-bromophenyl)thiophen-2-yl]-N-methylmethanamine?
1-[5-(3-bromophenyl)thiophen-2-yl]-N-methylmethanamine has a molecular weight of 282.21 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-bromophenyl)thiophen-2-yl]-N-methylmethanamine is sourced from PubChem (CID 43275238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).