1-[5-(4-bromophenyl)thiophen-2-yl]-1-cyclopropyl-N-methylmethanamine

C15H16BrNS — CID 43288068

IUPAC1-[5-(4-bromophenyl)thiophen-2-yl]-1-cyclopropyl-N-methylmethanamine
SMILESCNC(c1ccc(-c2ccc(Br)cc2)s1)C1CC1
InChIInChI=1S/C15H16BrNS/c1-17-15(11-2-3-11)14-9-8-13(18-14)10-4-6-12(16)7-5-10/h4-9,11,15,17H,2-3H2,1H3
InChIKeyIIUWSLLPTSOFLF-UHFFFAOYSA-N
MW322.27 g/mol
LogP4.85
Rot. Bonds4

About 1-[5-(4-bromophenyl)thiophen-2-yl]-1-cyclopropyl-N-methylmethanamine

1-[5-(4-bromophenyl)thiophen-2-yl]-1-cyclopropyl-N-methylmethanamine (PubChem CID 43288068) has the molecular formula C15H16BrNS and a molecular weight of 322.27 g/mol. Its IUPAC name is 1-[5-(4-bromophenyl)thiophen-2-yl]-1-cyclopropyl-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(4-bromophenyl)thiophen-2-yl]-1-cyclopropyl-N-methylmethanamine
PubChem CID43288068
Molecular FormulaC15H16BrNS
Molecular Weight322.27 g/mol
Exact Mass321.02
IUPAC Name1-[5-(4-bromophenyl)thiophen-2-yl]-1-cyclopropyl-N-methylmethanamine
SMILESCNC(c1ccc(-c2ccc(Br)cc2)s1)C1CC1
InChIInChI=1S/C15H16BrNS/c1-17-15(11-2-3-11)14-9-8-13(18-14)10-4-6-12(16)7-5-10/h4-9,11,15,17H,2-3H2,1H3
InChIKeyIIUWSLLPTSOFLF-UHFFFAOYSA-N
XLogP4.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.27
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-N-methyl-1-(5-naphthalen-2-ylthiophen-2-yl)methanamine
CID 43287655
[5-(4-bromophenyl)thiophen-2-yl]-cyclopropylmethanamine
CID 43154410
1-cyclopropyl-1-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]-N-methylmethanamine
CID 62813412
1-cyclopropyl-1-[5-(2,6-dibromo-4-methylphenyl)thiophen-2-yl]-N-methylmethanamine
CID 43288016
1-[5-(2-chloro-4-methylphenyl)thiophen-2-yl]-1-cyclopropyl-N-methylmethanamine
CID 43287807
1-cyclopropyl-1-[5-(2,3-dimethylphenyl)thiophen-2-yl]-N-methylmethanamine
CID 43287604
N-[cyclopropyl-[5-(4-iodophenyl)thiophen-2-yl]methyl]ethanamine
CID 43288082
1-cyclopropyl-N-methyl-1-[5-(2-propan-2-ylphenyl)thiophen-2-yl]methanamine
CID 43287687
N-[[5-(3-bromo-5-methylphenyl)thiophen-2-yl]-cyclopropylmethyl]ethanamine
CID 107577053
1-cyclopropyl-N-methyl-1-[5-(2-propylphenyl)thiophen-2-yl]methanamine
CID 63400602
N-[cyclopropyl-[5-(2,5-dibromophenyl)thiophen-2-yl]methyl]ethanamine
CID 63401070
1-(5-bromothiophen-2-yl)-1-(4-butylcyclohexyl)-N-methylmethanamine
CID 55196072

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-bromophenyl)thiophen-2-yl]-1-cyclopropyl-N-methylmethanamine?
The IUPAC name of 1-[5-(4-bromophenyl)thiophen-2-yl]-1-cyclopropyl-N-methylmethanamine (CID 43288068) is 1-[5-(4-bromophenyl)thiophen-2-yl]-1-cyclopropyl-N-methylmethanamine.
What is the SMILES notation for 1-[5-(4-bromophenyl)thiophen-2-yl]-1-cyclopropyl-N-methylmethanamine?
The canonical SMILES for 1-[5-(4-bromophenyl)thiophen-2-yl]-1-cyclopropyl-N-methylmethanamine is CNC(c1ccc(-c2ccc(Br)cc2)s1)C1CC1.
What is the InChIKey of 1-[5-(4-bromophenyl)thiophen-2-yl]-1-cyclopropyl-N-methylmethanamine?
The InChIKey is IIUWSLLPTSOFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNS/c1-17-15(11-2-3-11)14-9-8-13(18-14)10-4-6-12(16)7-5-10/h4-9,11,15,17H,2-3H2,1H3.
What are the key properties of 1-[5-(4-bromophenyl)thiophen-2-yl]-1-cyclopropyl-N-methylmethanamine?
1-[5-(4-bromophenyl)thiophen-2-yl]-1-cyclopropyl-N-methylmethanamine has a molecular weight of 322.27 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-bromophenyl)thiophen-2-yl]-1-cyclopropyl-N-methylmethanamine is sourced from PubChem (CID 43288068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).