N-[(3-bromo-2,6-difluorophenyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine

C15H14BrF2NS — CID 106268675

IUPACN-[(3-bromo-2,6-difluorophenyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
SMILESFc1ccc(Br)c(F)c1CN(Cc1ccsc1)C1CC1
InChIInChI=1S/C15H14BrF2NS/c16-13-3-4-14(17)12(15(13)18)8-19(11-1-2-11)7-10-5-6-20-9-10/h3-6,9,11H,1-2,7-8H2
InChIKeyVGCPAJCLRCEVDA-UHFFFAOYSA-N
MW358.25 g/mol
LogP4.95
Rot. Bonds5

About N-[(3-bromo-2,6-difluorophenyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine

N-[(3-bromo-2,6-difluorophenyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine (PubChem CID 106268675) has the molecular formula C15H14BrF2NS and a molecular weight of 358.25 g/mol. Its IUPAC name is N-[(3-bromo-2,6-difluorophenyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[(3-bromo-2,6-difluorophenyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
PubChem CID106268675
Molecular FormulaC15H14BrF2NS
Molecular Weight358.25 g/mol
Exact Mass357.00
IUPAC NameN-[(3-bromo-2,6-difluorophenyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
SMILESFc1ccc(Br)c(F)c1CN(Cc1ccsc1)C1CC1
InChIInChI=1S/C15H14BrF2NS/c16-13-3-4-14(17)12(15(13)18)8-19(11-1-2-11)7-10-5-6-20-9-10/h3-6,9,11H,1-2,7-8H2
InChIKeyVGCPAJCLRCEVDA-UHFFFAOYSA-N
XLogP4.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.25
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[(3-bromo-2,6-difluorophenyl)methyl]-N-ethylcyclopropanamine
CID 106268507
N-[(3-bromo-2,6-difluorophenyl)methyl]-N-(2-chloroethyl)cyclobutanamine
CID 106272497
2-[(3-bromo-2,6-difluorophenyl)methyl-cyclopentylamino]ethanol
CID 114166335
N-[(4-iodophenyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 65478755
2-[(3-bromo-2,6-difluorophenyl)methyl-cyclopentylamino]acetonitrile
CID 106264001
N-[(3-bromo-2,6-difluorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106264936
N-(2-chloroethyl)-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 61435255
4-[cyclopropyl(thiophen-3-ylmethyl)amino]butan-1-ol
CID 61435347
3-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-2-fluorobenzonitrile
CID 103912099
5-bromo-2-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]aniline
CID 79712882
6-[cyclopropyl(thiophen-3-ylmethyl)amino]hexan-1-ol
CID 103737857
3-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]aniline
CID 43646266

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-2,6-difluorophenyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine?
The IUPAC name of N-[(3-bromo-2,6-difluorophenyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine (CID 106268675) is N-[(3-bromo-2,6-difluorophenyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-[(3-bromo-2,6-difluorophenyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine?
The canonical SMILES for N-[(3-bromo-2,6-difluorophenyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine is Fc1ccc(Br)c(F)c1CN(Cc1ccsc1)C1CC1.
What is the InChIKey of N-[(3-bromo-2,6-difluorophenyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine?
The InChIKey is VGCPAJCLRCEVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2NS/c16-13-3-4-14(17)12(15(13)18)8-19(11-1-2-11)7-10-5-6-20-9-10/h3-6,9,11H,1-2,7-8H2.
What are the key properties of N-[(3-bromo-2,6-difluorophenyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine?
N-[(3-bromo-2,6-difluorophenyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine has a molecular weight of 358.25 g/mol, XLogP of 4.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-2,6-difluorophenyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine is sourced from PubChem (CID 106268675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).