1-(4-bromothiophen-3-yl)-N-methyl-1-(1-phenylcyclopropyl)methanamine

C15H16BrNS — CID 79596313

IUPAC1-(4-bromothiophen-3-yl)-N-methyl-1-(1-phenylcyclopropyl)methanamine
SMILESCNC(c1cscc1Br)C1(c2ccccc2)CC1
InChIInChI=1S/C15H16BrNS/c1-17-14(12-9-18-10-13(12)16)15(7-8-15)11-5-3-2-4-6-11/h2-6,9-10,14,17H,7-8H2,1H3
InChIKeyDJLHFKGDRAVOJU-UHFFFAOYSA-N
MW322.27 g/mol
LogP4.50
Rot. Bonds4

About 1-(4-bromothiophen-3-yl)-N-methyl-1-(1-phenylcyclopropyl)methanamine

1-(4-bromothiophen-3-yl)-N-methyl-1-(1-phenylcyclopropyl)methanamine (PubChem CID 79596313) has the molecular formula C15H16BrNS and a molecular weight of 322.27 g/mol. Its IUPAC name is 1-(4-bromothiophen-3-yl)-N-methyl-1-(1-phenylcyclopropyl)methanamine.

Molecular Properties

Compound Name1-(4-bromothiophen-3-yl)-N-methyl-1-(1-phenylcyclopropyl)methanamine
PubChem CID79596313
Molecular FormulaC15H16BrNS
Molecular Weight322.27 g/mol
Exact Mass321.02
IUPAC Name1-(4-bromothiophen-3-yl)-N-methyl-1-(1-phenylcyclopropyl)methanamine
SMILESCNC(c1cscc1Br)C1(c2ccccc2)CC1
InChIInChI=1S/C15H16BrNS/c1-17-14(12-9-18-10-13(12)16)15(7-8-15)11-5-3-2-4-6-11/h2-6,9-10,14,17H,7-8H2,1H3
InChIKeyDJLHFKGDRAVOJU-UHFFFAOYSA-N
XLogP4.50
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 ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-3-yl)-N-methyl-1-(1-phenylcyclopropyl)methanamine?
The IUPAC name of 1-(4-bromothiophen-3-yl)-N-methyl-1-(1-phenylcyclopropyl)methanamine (CID 79596313) is 1-(4-bromothiophen-3-yl)-N-methyl-1-(1-phenylcyclopropyl)methanamine.
What is the SMILES notation for 1-(4-bromothiophen-3-yl)-N-methyl-1-(1-phenylcyclopropyl)methanamine?
The canonical SMILES for 1-(4-bromothiophen-3-yl)-N-methyl-1-(1-phenylcyclopropyl)methanamine is CNC(c1cscc1Br)C1(c2ccccc2)CC1.
What is the InChIKey of 1-(4-bromothiophen-3-yl)-N-methyl-1-(1-phenylcyclopropyl)methanamine?
The InChIKey is DJLHFKGDRAVOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNS/c1-17-14(12-9-18-10-13(12)16)15(7-8-15)11-5-3-2-4-6-11/h2-6,9-10,14,17H,7-8H2,1H3.
What are the key properties of 1-(4-bromothiophen-3-yl)-N-methyl-1-(1-phenylcyclopropyl)methanamine?
1-(4-bromothiophen-3-yl)-N-methyl-1-(1-phenylcyclopropyl)methanamine has a molecular weight of 322.27 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-3-yl)-N-methyl-1-(1-phenylcyclopropyl)methanamine is sourced from PubChem (CID 79596313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).