2-(4-bromothiophen-2-yl)-N-methyl-1-(2-phenylcyclopropyl)ethanamine

C16H18BrNS — CID 115848042

IUPAC2-(4-bromothiophen-2-yl)-N-methyl-1-(2-phenylcyclopropyl)ethanamine
SMILESCNC(Cc1cc(Br)cs1)C1CC1c1ccccc1
InChIInChI=1S/C16H18BrNS/c1-18-16(8-13-7-12(17)10-19-13)15-9-14(15)11-5-3-2-4-6-11/h2-7,10,14-16,18H,8-9H2,1H3
InChIKeyNNZUYWOMZZRBCG-UHFFFAOYSA-N
MW336.30 g/mol
LogP4.44
Rot. Bonds5

About 2-(4-bromothiophen-2-yl)-N-methyl-1-(2-phenylcyclopropyl)ethanamine

2-(4-bromothiophen-2-yl)-N-methyl-1-(2-phenylcyclopropyl)ethanamine (PubChem CID 115848042) has the molecular formula C16H18BrNS and a molecular weight of 336.30 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-N-methyl-1-(2-phenylcyclopropyl)ethanamine.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-N-methyl-1-(2-phenylcyclopropyl)ethanamine
PubChem CID115848042
Molecular FormulaC16H18BrNS
Molecular Weight336.30 g/mol
Exact Mass335.03
IUPAC Name2-(4-bromothiophen-2-yl)-N-methyl-1-(2-phenylcyclopropyl)ethanamine
SMILESCNC(Cc1cc(Br)cs1)C1CC1c1ccccc1
InChIInChI=1S/C16H18BrNS/c1-18-16(8-13-7-12(17)10-19-13)15-9-14(15)11-5-3-2-4-6-11/h2-7,10,14-16,18H,8-9H2,1H3
InChIKeyNNZUYWOMZZRBCG-UHFFFAOYSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.30
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromothiophen-3-yl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 105189078
2-cyclopropyl-N-methyl-1-(2-phenylcyclopropyl)ethanamine
CID 116517798
N-methyl-1-(2-phenylcyclopropyl)-4-thiophen-2-ylbutan-1-amine
CID 105189048
3-ethyl-N-methyl-1-(2-phenylcyclopropyl)pentan-1-amine
CID 105028477
N-methyl-1-(2-phenylcyclopropyl)but-3-en-1-amine
CID 116660529
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(4-bromothiophen-2-yl)-N-methylethanamine
CID 115847876
2-(4-bromothiophen-2-yl)-1-(3-ethylcyclopentyl)-N-methylethanamine
CID 65411023
N-methyl-2-phenoxy-1-(2-phenylcyclopropyl)ethanamine
CID 116517453
[2-(2-bromophenyl)-1-(2-phenylcyclopropyl)ethyl]hydrazine
CID 105215061
3-methoxy-N,3-dimethyl-1-(2-phenylcyclopropyl)butan-1-amine
CID 103029487
2-(4-bromothiophen-2-yl)-1-(4,4-difluorocyclohexyl)-N-methylethanamine
CID 105139327
[2-(4-bromo-2-chlorophenyl)-1-(2-phenylcyclopropyl)ethyl]hydrazine
CID 105335247

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-N-methyl-1-(2-phenylcyclopropyl)ethanamine?
The IUPAC name of 2-(4-bromothiophen-2-yl)-N-methyl-1-(2-phenylcyclopropyl)ethanamine (CID 115848042) is 2-(4-bromothiophen-2-yl)-N-methyl-1-(2-phenylcyclopropyl)ethanamine.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-N-methyl-1-(2-phenylcyclopropyl)ethanamine?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-N-methyl-1-(2-phenylcyclopropyl)ethanamine is CNC(Cc1cc(Br)cs1)C1CC1c1ccccc1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-N-methyl-1-(2-phenylcyclopropyl)ethanamine?
The InChIKey is NNZUYWOMZZRBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNS/c1-18-16(8-13-7-12(17)10-19-13)15-9-14(15)11-5-3-2-4-6-11/h2-7,10,14-16,18H,8-9H2,1H3.
What are the key properties of 2-(4-bromothiophen-2-yl)-N-methyl-1-(2-phenylcyclopropyl)ethanamine?
2-(4-bromothiophen-2-yl)-N-methyl-1-(2-phenylcyclopropyl)ethanamine has a molecular weight of 336.30 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-N-methyl-1-(2-phenylcyclopropyl)ethanamine is sourced from PubChem (CID 115848042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).