1-(4-bromo-2,5-difluorophenyl)-2-cyclopropyl-N-methylpropan-1-amine

C13H16BrF2N — CID 83154592

IUPAC1-(4-bromo-2,5-difluorophenyl)-2-cyclopropyl-N-methylpropan-1-amine
SMILESCNC(c1cc(F)c(Br)cc1F)C(C)C1CC1
InChIInChI=1S/C13H16BrF2N/c1-7(8-3-4-8)13(17-2)9-5-12(16)10(14)6-11(9)15/h5-8,13,17H,3-4H2,1-2H3
InChIKeyOSPUCLZPMKSLML-UHFFFAOYSA-N
MW304.18 g/mol
LogP4.03
Rot. Bonds4

About 1-(4-bromo-2,5-difluorophenyl)-2-cyclopropyl-N-methylpropan-1-amine

1-(4-bromo-2,5-difluorophenyl)-2-cyclopropyl-N-methylpropan-1-amine (PubChem CID 83154592) has the molecular formula C13H16BrF2N and a molecular weight of 304.18 g/mol. Its IUPAC name is 1-(4-bromo-2,5-difluorophenyl)-2-cyclopropyl-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-2,5-difluorophenyl)-2-cyclopropyl-N-methylpropan-1-amine
PubChem CID83154592
Molecular FormulaC13H16BrF2N
Molecular Weight304.18 g/mol
Exact Mass303.04
IUPAC Name1-(4-bromo-2,5-difluorophenyl)-2-cyclopropyl-N-methylpropan-1-amine
SMILESCNC(c1cc(F)c(Br)cc1F)C(C)C1CC1
InChIInChI=1S/C13H16BrF2N/c1-7(8-3-4-8)13(17-2)9-5-12(16)10(14)6-11(9)15/h5-8,13,17H,3-4H2,1-2H3
InChIKeyOSPUCLZPMKSLML-UHFFFAOYSA-N
XLogP4.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.18
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(5-bromo-2-fluorophenyl)-2-cyclopropyl-N-methylpropan-1-amine
CID 105011902
1-(4-chloro-2-fluorophenyl)-2-cyclopropyl-N-methylpropan-1-amine
CID 105022658
2-cyclopropyl-1-(2-fluoro-4-methoxyphenyl)-N-methylpropan-1-amine
CID 83154390
1-(4-bromo-2,5-difluorophenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine
CID 103309676
1-(2-chloro-5-fluorophenyl)-2-cyclopropyl-N-methylpropan-1-amine
CID 105396910
1-bromo-2,5-difluoro-4-propan-2-ylbenzene
CID 58333577
5-bromo-6-[2-cyclopropyl-1-(methylamino)propyl]-1,3-dimethylbenzimidazol-2-one
CID 83149810
[(4-bromo-2,5-difluorophenyl)-chloromethyl]cyclooctane
CID 65021044
1-(3-bromo-4-fluorophenyl)-2-cyclopropyl-N-ethylpropan-1-amine
CID 83155186
1-(4-bromo-2,5-difluorophenyl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine
CID 81331183
[2-cyclopropyl-1-(2-fluoro-4-methoxyphenyl)propyl]hydrazine
CID 103397832
1-(4-bromo-5-chlorothiophen-2-yl)-2-cyclopropyl-N-methylpropan-1-amine
CID 102828326

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,5-difluorophenyl)-2-cyclopropyl-N-methylpropan-1-amine?
The IUPAC name of 1-(4-bromo-2,5-difluorophenyl)-2-cyclopropyl-N-methylpropan-1-amine (CID 83154592) is 1-(4-bromo-2,5-difluorophenyl)-2-cyclopropyl-N-methylpropan-1-amine.
What is the SMILES notation for 1-(4-bromo-2,5-difluorophenyl)-2-cyclopropyl-N-methylpropan-1-amine?
The canonical SMILES for 1-(4-bromo-2,5-difluorophenyl)-2-cyclopropyl-N-methylpropan-1-amine is CNC(c1cc(F)c(Br)cc1F)C(C)C1CC1.
What is the InChIKey of 1-(4-bromo-2,5-difluorophenyl)-2-cyclopropyl-N-methylpropan-1-amine?
The InChIKey is OSPUCLZPMKSLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrF2N/c1-7(8-3-4-8)13(17-2)9-5-12(16)10(14)6-11(9)15/h5-8,13,17H,3-4H2,1-2H3.
What are the key properties of 1-(4-bromo-2,5-difluorophenyl)-2-cyclopropyl-N-methylpropan-1-amine?
1-(4-bromo-2,5-difluorophenyl)-2-cyclopropyl-N-methylpropan-1-amine has a molecular weight of 304.18 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,5-difluorophenyl)-2-cyclopropyl-N-methylpropan-1-amine is sourced from PubChem (CID 83154592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).