1-(5-bromothiophen-3-yl)-N-methyl-1-(2-phenylcyclopropyl)methanamine

C15H16BrNS — CID 105189078

IUPAC1-(5-bromothiophen-3-yl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
SMILESCNC(c1csc(Br)c1)C1CC1c1ccccc1
InChIInChI=1S/C15H16BrNS/c1-17-15(11-7-14(16)18-9-11)13-8-12(13)10-5-3-2-4-6-10/h2-7,9,12-13,15,17H,8H2,1H3
InChIKeyVTRKJOXAANSJAR-UHFFFAOYSA-N
MW322.27 g/mol
LogP4.57
Rot. Bonds4

About 1-(5-bromothiophen-3-yl)-N-methyl-1-(2-phenylcyclopropyl)methanamine

1-(5-bromothiophen-3-yl)-N-methyl-1-(2-phenylcyclopropyl)methanamine (PubChem CID 105189078) has the molecular formula C15H16BrNS and a molecular weight of 322.27 g/mol. Its IUPAC name is 1-(5-bromothiophen-3-yl)-N-methyl-1-(2-phenylcyclopropyl)methanamine.

Molecular Properties

Compound Name1-(5-bromothiophen-3-yl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
PubChem CID105189078
Molecular FormulaC15H16BrNS
Molecular Weight322.27 g/mol
Exact Mass321.02
IUPAC Name1-(5-bromothiophen-3-yl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
SMILESCNC(c1csc(Br)c1)C1CC1c1ccccc1
InChIInChI=1S/C15H16BrNS/c1-17-15(11-7-14(16)18-9-11)13-8-12(13)10-5-3-2-4-6-10/h2-7,9,12-13,15,17H,8H2,1H3
InChIKeyVTRKJOXAANSJAR-UHFFFAOYSA-N
XLogP4.57
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 ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromothiophen-3-yl)-(2-phenylcyclopropyl)methanamine
CID 105189029
1-(3,5-difluorophenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 116517417
N-[(5-iodothiophen-3-yl)-(2-phenylcyclopropyl)methyl]ethanamine
CID 105052605
1-(3-ethylphenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 105018905
1-(2-bromo-5-methylphenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 105052519
1-(3-chloro-5-methylphenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 105052707
1-(5-bromothiophen-3-yl)-1-cyclopropyl-N-methylmethanamine
CID 105157259
1-(3-methoxy-4-methylphenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 105052563
2-(4-bromothiophen-2-yl)-N-methyl-1-(2-phenylcyclopropyl)ethanamine
CID 115848042
N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-1-(2-phenylcyclopropyl)methanamine
CID 105189104
1-(5-bromo-2-pyridinyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 116517909
1-(4-fluoro-3-methoxyphenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 105052597

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-3-yl)-N-methyl-1-(2-phenylcyclopropyl)methanamine?
The IUPAC name of 1-(5-bromothiophen-3-yl)-N-methyl-1-(2-phenylcyclopropyl)methanamine (CID 105189078) is 1-(5-bromothiophen-3-yl)-N-methyl-1-(2-phenylcyclopropyl)methanamine.
What is the SMILES notation for 1-(5-bromothiophen-3-yl)-N-methyl-1-(2-phenylcyclopropyl)methanamine?
The canonical SMILES for 1-(5-bromothiophen-3-yl)-N-methyl-1-(2-phenylcyclopropyl)methanamine is CNC(c1csc(Br)c1)C1CC1c1ccccc1.
What is the InChIKey of 1-(5-bromothiophen-3-yl)-N-methyl-1-(2-phenylcyclopropyl)methanamine?
The InChIKey is VTRKJOXAANSJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNS/c1-17-15(11-7-14(16)18-9-11)13-8-12(13)10-5-3-2-4-6-10/h2-7,9,12-13,15,17H,8H2,1H3.
What are the key properties of 1-(5-bromothiophen-3-yl)-N-methyl-1-(2-phenylcyclopropyl)methanamine?
1-(5-bromothiophen-3-yl)-N-methyl-1-(2-phenylcyclopropyl)methanamine has a molecular weight of 322.27 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-3-yl)-N-methyl-1-(2-phenylcyclopropyl)methanamine is sourced from PubChem (CID 105189078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).