1-(5-bromo-2-fluorophenyl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine

C14H20BrFN2 — CID 43568925

IUPAC1-(5-bromo-2-fluorophenyl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine
SMILESCC(C1CC1)N(C)C(CN)c1cc(Br)ccc1F
InChIInChI=1S/C14H20BrFN2/c1-9(10-3-4-10)18(2)14(8-17)12-7-11(15)5-6-13(12)16/h5-7,9-10,14H,3-4,8,17H2,1-2H3
InChIKeyXHLAPJXQFQXCGQ-UHFFFAOYSA-N
MW315.23 g/mol
LogP3.32
Rot. Bonds5

About 1-(5-bromo-2-fluorophenyl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine

1-(5-bromo-2-fluorophenyl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine (PubChem CID 43568925) has the molecular formula C14H20BrFN2 and a molecular weight of 315.23 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine
PubChem CID43568925
Molecular FormulaC14H20BrFN2
Molecular Weight315.23 g/mol
Exact Mass314.08
IUPAC Name1-(5-bromo-2-fluorophenyl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine
SMILESCC(C1CC1)N(C)C(CN)c1cc(Br)ccc1F
InChIInChI=1S/C14H20BrFN2/c1-9(10-3-4-10)18(2)14(8-17)12-7-11(15)5-6-13(12)16/h5-7,9-10,14H,3-4,8,17H2,1-2H3
InChIKeyXHLAPJXQFQXCGQ-UHFFFAOYSA-N
XLogP3.32
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.23
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(5-bromo-2-fluorophenyl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine (CID 43568925) is 1-(5-bromo-2-fluorophenyl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine is CC(C1CC1)N(C)C(CN)c1cc(Br)ccc1F.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine?
The InChIKey is XHLAPJXQFQXCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrFN2/c1-9(10-3-4-10)18(2)14(8-17)12-7-11(15)5-6-13(12)16/h5-7,9-10,14H,3-4,8,17H2,1-2H3.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine?
1-(5-bromo-2-fluorophenyl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine has a molecular weight of 315.23 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 43568925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).