2-N-(3-bromo-4-fluorophenyl)-2-propylpentane-1,2-diamine

C14H22BrFN2 — CID 104776300

IUPAC2-N-(3-bromo-4-fluorophenyl)-2-propylpentane-1,2-diamine
SMILESCCCC(CN)(CCC)Nc1ccc(F)c(Br)c1
InChIInChI=1S/C14H22BrFN2/c1-3-7-14(10-17,8-4-2)18-11-5-6-13(16)12(15)9-11/h5-6,9,18H,3-4,7-8,10,17H2,1-2H3
InChIKeyIMZBAMIWORZVPN-UHFFFAOYSA-N
MW317.25 g/mol
LogP4.30
Rot. Bonds7

About 2-N-(3-bromo-4-fluorophenyl)-2-propylpentane-1,2-diamine

2-N-(3-bromo-4-fluorophenyl)-2-propylpentane-1,2-diamine (PubChem CID 104776300) has the molecular formula C14H22BrFN2 and a molecular weight of 317.25 g/mol. Its IUPAC name is 2-N-(3-bromo-4-fluorophenyl)-2-propylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-(3-bromo-4-fluorophenyl)-2-propylpentane-1,2-diamine
PubChem CID104776300
Molecular FormulaC14H22BrFN2
Molecular Weight317.25 g/mol
Exact Mass316.10
IUPAC Name2-N-(3-bromo-4-fluorophenyl)-2-propylpentane-1,2-diamine
SMILESCCCC(CN)(CCC)Nc1ccc(F)c(Br)c1
InChIInChI=1S/C14H22BrFN2/c1-3-7-14(10-17,8-4-2)18-11-5-6-13(16)12(15)9-11/h5-6,9,18H,3-4,7-8,10,17H2,1-2H3
InChIKeyIMZBAMIWORZVPN-UHFFFAOYSA-N
XLogP4.30
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.25
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-N-(3-bromo-4-fluorophenyl)-2-propylpentane-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

2-N-(3-bromo-4-fluorophenyl)-2-(1-methylcyclopropyl)propane-1,2-diamine
CID 104776396
3-bromo-4-fluoro-N-propylaniline
CID 104776158
2-N-(2-fluorophenyl)-2-propylpentane-1,2-diamine
CID 65378984
3-bromo-N-dodecyl-4-fluoroaniline
CID 104777613
3-bromo-4-fluoro-N-pentan-3-ylaniline
CID 104776153
5-(3-bromo-4-fluoroanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 104779738
N-(3-bromo-4-fluorophenyl)ethanesulfonamide
CID 104779628
2-N-(3-bromo-4-fluorophenyl)-3-methylbutane-1,2-diamine
CID 104776446
2-[(3-bromo-4-fluorophenyl)methyl]-2-fluorobutan-1-amine
CID 112565924
N-[1-(aminomethyl)cyclopentyl]-3-bromo-4-fluoroaniline
CID 104776301
2-N-(3-bromo-4-fluorophenyl)-6-propoxypyridine-2,5-diamine
CID 104775522
butyl 2-(3-bromo-4-fluoroanilino)acetate
CID 104777302

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-bromo-4-fluorophenyl)-2-propylpentane-1,2-diamine?
The IUPAC name of 2-N-(3-bromo-4-fluorophenyl)-2-propylpentane-1,2-diamine (CID 104776300) is 2-N-(3-bromo-4-fluorophenyl)-2-propylpentane-1,2-diamine.
What is the SMILES notation for 2-N-(3-bromo-4-fluorophenyl)-2-propylpentane-1,2-diamine?
The canonical SMILES for 2-N-(3-bromo-4-fluorophenyl)-2-propylpentane-1,2-diamine is CCCC(CN)(CCC)Nc1ccc(F)c(Br)c1.
What is the InChIKey of 2-N-(3-bromo-4-fluorophenyl)-2-propylpentane-1,2-diamine?
The InChIKey is IMZBAMIWORZVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrFN2/c1-3-7-14(10-17,8-4-2)18-11-5-6-13(16)12(15)9-11/h5-6,9,18H,3-4,7-8,10,17H2,1-2H3.
What are the key properties of 2-N-(3-bromo-4-fluorophenyl)-2-propylpentane-1,2-diamine?
2-N-(3-bromo-4-fluorophenyl)-2-propylpentane-1,2-diamine has a molecular weight of 317.25 g/mol, XLogP of 4.30, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-bromo-4-fluorophenyl)-2-propylpentane-1,2-diamine is sourced from PubChem (CID 104776300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).