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

C15H20BrF2N — CID 106271110

IUPACN-[2-[(3-bromo-2,6-difluorophenyl)methyl]-3-methylbutyl]cyclopropanamine
SMILESCC(C)C(CNC1CC1)Cc1c(F)ccc(Br)c1F
InChIInChI=1S/C15H20BrF2N/c1-9(2)10(8-19-11-3-4-11)7-12-14(17)6-5-13(16)15(12)18/h5-6,9-11,19H,3-4,7-8H2,1-2H3
InChIKeyOHJICRSALPYULC-UHFFFAOYSA-N
MW332.23 g/mol
LogP4.29
Rot. Bonds6

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

N-[2-[(3-bromo-2,6-difluorophenyl)methyl]-3-methylbutyl]cyclopropanamine (PubChem CID 106271110) has the molecular formula C15H20BrF2N and a molecular weight of 332.23 g/mol. Its IUPAC name is N-[2-[(3-bromo-2,6-difluorophenyl)methyl]-3-methylbutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(3-bromo-2,6-difluorophenyl)methyl]-3-methylbutyl]cyclopropanamine
PubChem CID106271110
Molecular FormulaC15H20BrF2N
Molecular Weight332.23 g/mol
Exact Mass331.07
IUPAC NameN-[2-[(3-bromo-2,6-difluorophenyl)methyl]-3-methylbutyl]cyclopropanamine
SMILESCC(C)C(CNC1CC1)Cc1c(F)ccc(Br)c1F
InChIInChI=1S/C15H20BrF2N/c1-9(2)10(8-19-11-3-4-11)7-12-14(17)6-5-13(16)15(12)18/h5-6,9-11,19H,3-4,7-8H2,1-2H3
InChIKeyOHJICRSALPYULC-UHFFFAOYSA-N
XLogP4.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 54.29
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

N-[4-(2-bromo-5-fluorophenyl)-2,3-dimethylbutyl]cyclopropanamine
CID 81015086
[1-(3-bromo-2,6-difluorophenyl)-3-methylbutan-2-yl]hydrazine
CID 106270740
3-(3-bromo-2,6-difluorophenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 106943534
N-[2-[(3-bromo-2,6-difluorophenyl)methyl]-2-ethylbutyl]cyclopropanamine
CID 106271457
N-[3-(3-bromo-2,6-difluorophenyl)-2-cyclopropyl-2-methylpropyl]cyclopropanamine
CID 106271813
2-(3-bromo-2,6-difluorophenyl)-1-cycloheptyl-N-ethylethanamine
CID 106267625
4-(3-bromo-2,6-difluorophenyl)-3-methylbutan-1-amine
CID 106273281
N-[2-[(3-bromo-2,6-difluorophenyl)methyl]-2-methylbut-3-enyl]cyclopropanamine
CID 106271907
N-[(3-bromo-2,6-difluorophenyl)methyl]-2-methylpropan-1-amine
CID 106942499
N-[[1-[(3-bromo-2,6-difluorophenyl)methyl]cyclohexyl]methyl]cyclopropanamine
CID 106271386
N-[3-(5-bromo-2-fluorophenyl)-2-methylpropyl]cyclopropanamine
CID 62528286
[2-(3-bromo-2,6-difluorophenyl)-1-(2-methyloxolan-3-yl)ethyl]hydrazine
CID 106271487

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-bromo-2,6-difluorophenyl)methyl]-3-methylbutyl]cyclopropanamine?
The IUPAC name of N-[2-[(3-bromo-2,6-difluorophenyl)methyl]-3-methylbutyl]cyclopropanamine (CID 106271110) is N-[2-[(3-bromo-2,6-difluorophenyl)methyl]-3-methylbutyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(3-bromo-2,6-difluorophenyl)methyl]-3-methylbutyl]cyclopropanamine?
The canonical SMILES for N-[2-[(3-bromo-2,6-difluorophenyl)methyl]-3-methylbutyl]cyclopropanamine is CC(C)C(CNC1CC1)Cc1c(F)ccc(Br)c1F.
What is the InChIKey of N-[2-[(3-bromo-2,6-difluorophenyl)methyl]-3-methylbutyl]cyclopropanamine?
The InChIKey is OHJICRSALPYULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrF2N/c1-9(2)10(8-19-11-3-4-11)7-12-14(17)6-5-13(16)15(12)18/h5-6,9-11,19H,3-4,7-8H2,1-2H3.
What are the key properties of N-[2-[(3-bromo-2,6-difluorophenyl)methyl]-3-methylbutyl]cyclopropanamine?
N-[2-[(3-bromo-2,6-difluorophenyl)methyl]-3-methylbutyl]cyclopropanamine has a molecular weight of 332.23 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-bromo-2,6-difluorophenyl)methyl]-3-methylbutyl]cyclopropanamine is sourced from PubChem (CID 106271110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).