1-(4-bromo-2-fluorophenyl)-N-butan-2-yl-N-methylethane-1,2-diamine

C13H20BrFN2 — CID 43272757

IUPAC1-(4-bromo-2-fluorophenyl)-N-butan-2-yl-N-methylethane-1,2-diamine
SMILESCCC(C)N(C)C(CN)c1ccc(Br)cc1F
InChIInChI=1S/C13H20BrFN2/c1-4-9(2)17(3)13(8-16)11-6-5-10(14)7-12(11)15/h5-7,9,13H,4,8,16H2,1-3H3
InChIKeyKEGZMILLTZJYHK-UHFFFAOYSA-N
MW303.22 g/mol
LogP3.32
Rot. Bonds5

About 1-(4-bromo-2-fluorophenyl)-N-butan-2-yl-N-methylethane-1,2-diamine

1-(4-bromo-2-fluorophenyl)-N-butan-2-yl-N-methylethane-1,2-diamine (PubChem CID 43272757) has the molecular formula C13H20BrFN2 and a molecular weight of 303.22 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-N-butan-2-yl-N-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-N-butan-2-yl-N-methylethane-1,2-diamine
PubChem CID43272757
Molecular FormulaC13H20BrFN2
Molecular Weight303.22 g/mol
Exact Mass302.08
IUPAC Name1-(4-bromo-2-fluorophenyl)-N-butan-2-yl-N-methylethane-1,2-diamine
SMILESCCC(C)N(C)C(CN)c1ccc(Br)cc1F
InChIInChI=1S/C13H20BrFN2/c1-4-9(2)17(3)13(8-16)11-6-5-10(14)7-12(11)15/h5-7,9,13H,4,8,16H2,1-3H3
InChIKeyKEGZMILLTZJYHK-UHFFFAOYSA-N
XLogP3.32
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.22
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromo-2-fluorophenyl)-N-butan-2-yl-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

Related Compounds

1-(4-bromo-2-fluorophenyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79472106
1-(4-bromo-2-fluorophenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 43273506
1-(4-bromo-2-fluorophenyl)-N-[2-(dimethylamino)ethyl]-N-methylethane-1,2-diamine
CID 63694470
N-butan-2-yl-1-(5-chloro-2-fluorophenyl)-N-methylethane-1,2-diamine
CID 114842864
1-(4-bromo-2-fluorophenyl)-N-(2-ethoxyethyl)-N-methylethane-1,2-diamine
CID 81059193
N-benzyl-1-(4-bromo-2-fluorophenyl)-N-methylethane-1,2-diamine
CID 43364608
1-(4-bromo-2-fluorophenyl)-N-(cyclopropylmethyl)-N-methylethane-1,2-diamine
CID 54883966
1-(2,4-difluorophenyl)-N-methyl-N-pentan-3-ylethane-1,2-diamine
CID 43570816
1-(4-bromo-2-fluorophenyl)-N-cyclopropyl-N-propylethane-1,2-diamine
CID 43270201
3-(4-bromo-2-fluorophenyl)butan-1-amine
CID 117367048
1-(4-bromo-2-fluorophenyl)-N-[(3-chlorophenyl)methyl]-N-methylethane-1,2-diamine
CID 61413518
1-(2-bromo-4-fluorophenyl)-N-methyl-N-pentan-2-ylethane-1,2-diamine
CID 114059954

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-N-butan-2-yl-N-methylethane-1,2-diamine?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-N-butan-2-yl-N-methylethane-1,2-diamine (CID 43272757) is 1-(4-bromo-2-fluorophenyl)-N-butan-2-yl-N-methylethane-1,2-diamine.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-N-butan-2-yl-N-methylethane-1,2-diamine?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-N-butan-2-yl-N-methylethane-1,2-diamine is CCC(C)N(C)C(CN)c1ccc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-N-butan-2-yl-N-methylethane-1,2-diamine?
The InChIKey is KEGZMILLTZJYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrFN2/c1-4-9(2)17(3)13(8-16)11-6-5-10(14)7-12(11)15/h5-7,9,13H,4,8,16H2,1-3H3.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-N-butan-2-yl-N-methylethane-1,2-diamine?
1-(4-bromo-2-fluorophenyl)-N-butan-2-yl-N-methylethane-1,2-diamine has a molecular weight of 303.22 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-(4-bromo-2-fluorophenyl)-N-butan-2-yl-N-methylethane-1,2-diamine is sourced from PubChem (CID 43272757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).