N-[3-(3-bromo-2-fluorophenyl)-3-methylbutyl]cyclopropanamine

C14H19BrFN — CID 106646987

IUPACN-[3-(3-bromo-2-fluorophenyl)-3-methylbutyl]cyclopropanamine
SMILESCC(C)(CCNC1CC1)c1cccc(Br)c1F
InChIInChI=1S/C14H19BrFN/c1-14(2,8-9-17-10-6-7-10)11-4-3-5-12(15)13(11)16/h3-5,10,17H,6-9H2,1-2H3
InChIKeyLYKJEAHUUMYYES-UHFFFAOYSA-N
MW300.21 g/mol
LogP4.01
Rot. Bonds5

About N-[3-(3-bromo-2-fluorophenyl)-3-methylbutyl]cyclopropanamine

N-[3-(3-bromo-2-fluorophenyl)-3-methylbutyl]cyclopropanamine (PubChem CID 106646987) has the molecular formula C14H19BrFN and a molecular weight of 300.21 g/mol. Its IUPAC name is N-[3-(3-bromo-2-fluorophenyl)-3-methylbutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(3-bromo-2-fluorophenyl)-3-methylbutyl]cyclopropanamine
PubChem CID106646987
Molecular FormulaC14H19BrFN
Molecular Weight300.21 g/mol
Exact Mass299.07
IUPAC NameN-[3-(3-bromo-2-fluorophenyl)-3-methylbutyl]cyclopropanamine
SMILESCC(C)(CCNC1CC1)c1cccc(Br)c1F
InChIInChI=1S/C14H19BrFN/c1-14(2,8-9-17-10-6-7-10)11-4-3-5-12(15)13(11)16/h3-5,10,17H,6-9H2,1-2H3
InChIKeyLYKJEAHUUMYYES-UHFFFAOYSA-N
XLogP4.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.21
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-bromo-2-fluorophenyl)-3-methylbutyl]cyclopropanamine?
The IUPAC name of N-[3-(3-bromo-2-fluorophenyl)-3-methylbutyl]cyclopropanamine (CID 106646987) is N-[3-(3-bromo-2-fluorophenyl)-3-methylbutyl]cyclopropanamine.
What is the SMILES notation for N-[3-(3-bromo-2-fluorophenyl)-3-methylbutyl]cyclopropanamine?
The canonical SMILES for N-[3-(3-bromo-2-fluorophenyl)-3-methylbutyl]cyclopropanamine is CC(C)(CCNC1CC1)c1cccc(Br)c1F.
What is the InChIKey of N-[3-(3-bromo-2-fluorophenyl)-3-methylbutyl]cyclopropanamine?
The InChIKey is LYKJEAHUUMYYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFN/c1-14(2,8-9-17-10-6-7-10)11-4-3-5-12(15)13(11)16/h3-5,10,17H,6-9H2,1-2H3.
What are the key properties of N-[3-(3-bromo-2-fluorophenyl)-3-methylbutyl]cyclopropanamine?
N-[3-(3-bromo-2-fluorophenyl)-3-methylbutyl]cyclopropanamine has a molecular weight of 300.21 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-bromo-2-fluorophenyl)-3-methylbutyl]cyclopropanamine is sourced from PubChem (CID 106646987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).