1-(3-bromo-2,6-difluorophenyl)-2-ethyl-2-N,2-N-dimethylbutane-1,2-diamine

C14H21BrF2N2 — CID 106942739

IUPAC1-(3-bromo-2,6-difluorophenyl)-2-ethyl-2-N,2-N-dimethylbutane-1,2-diamine
SMILESCCC(CC)(C(N)c1c(F)ccc(Br)c1F)N(C)C
InChIInChI=1S/C14H21BrF2N2/c1-5-14(6-2,19(3)4)13(18)11-10(16)8-7-9(15)12(11)17/h7-8,13H,5-6,18H2,1-4H3
InChIKeyADABNJTVDPCTDI-UHFFFAOYSA-N
MW335.24 g/mol
LogP3.85
Rot. Bonds5

About 1-(3-bromo-2,6-difluorophenyl)-2-ethyl-2-N,2-N-dimethylbutane-1,2-diamine

1-(3-bromo-2,6-difluorophenyl)-2-ethyl-2-N,2-N-dimethylbutane-1,2-diamine (PubChem CID 106942739) has the molecular formula C14H21BrF2N2 and a molecular weight of 335.24 g/mol. Its IUPAC name is 1-(3-bromo-2,6-difluorophenyl)-2-ethyl-2-N,2-N-dimethylbutane-1,2-diamine.

Molecular Properties

Compound Name1-(3-bromo-2,6-difluorophenyl)-2-ethyl-2-N,2-N-dimethylbutane-1,2-diamine
PubChem CID106942739
Molecular FormulaC14H21BrF2N2
Molecular Weight335.24 g/mol
Exact Mass334.09
IUPAC Name1-(3-bromo-2,6-difluorophenyl)-2-ethyl-2-N,2-N-dimethylbutane-1,2-diamine
SMILESCCC(CC)(C(N)c1c(F)ccc(Br)c1F)N(C)C
InChIInChI=1S/C14H21BrF2N2/c1-5-14(6-2,19(3)4)13(18)11-10(16)8-7-9(15)12(11)17/h7-8,13H,5-6,18H2,1-4H3
InChIKeyADABNJTVDPCTDI-UHFFFAOYSA-N
XLogP3.85
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.24
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 1-(3-bromo-2,6-difluorophenyl)-2-ethyl-2-N,2-N-dimethylbutane-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-(3-bromo-2,6-difluorophenyl)-1-N,2-N,2-N,2-tetramethylbutane-1,2-diamine
CID 106942725
(1S)-1-(3-bromo-2,6-difluorophenyl)propan-1-amine;hydrochloride
CID 171224706
(3R)-3-amino-3-(3-bromo-2,6-difluorophenyl)-2,2-difluoropropan-1-ol
CID 131392243
2-ethyl-1-(4-fluorophenyl)-2-N,2-N-dimethylbutane-1,2-diamine
CID 79061366
1-(3-bromo-2,6-difluorophenyl)pentan-1-amine
CID 103947002
1-(3-bromo-2,6-difluorophenyl)-2,2-diethoxyethanamine
CID 106942803
2-(3-bromo-2,6-difluorophenyl)propan-1-amine
CID 106943854
1-(3-bromo-2,6-difluorophenyl)-N,N-diethyl-1-hydrazinyl-2-methylbutan-2-amine
CID 106945368
(1R)-1-(3-bromo-2,6-difluorophenyl)-4-methylpentan-1-amine
CID 171205160
1-(2,6-difluorophenyl)-2-N,2-N,2-trimethylbutane-1,2-diamine
CID 79063864
1-(3-bromo-2,6-difluorophenyl)-2-ethoxypropan-1-amine
CID 106942519
1-(3-bromo-2,6-difluorophenyl)-2-tert-butylsulfanylethanamine
CID 106942551

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-2-ethyl-2-N,2-N-dimethylbutane-1,2-diamine?
The IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-2-ethyl-2-N,2-N-dimethylbutane-1,2-diamine (CID 106942739) is 1-(3-bromo-2,6-difluorophenyl)-2-ethyl-2-N,2-N-dimethylbutane-1,2-diamine.
What is the SMILES notation for 1-(3-bromo-2,6-difluorophenyl)-2-ethyl-2-N,2-N-dimethylbutane-1,2-diamine?
The canonical SMILES for 1-(3-bromo-2,6-difluorophenyl)-2-ethyl-2-N,2-N-dimethylbutane-1,2-diamine is CCC(CC)(C(N)c1c(F)ccc(Br)c1F)N(C)C.
What is the InChIKey of 1-(3-bromo-2,6-difluorophenyl)-2-ethyl-2-N,2-N-dimethylbutane-1,2-diamine?
The InChIKey is ADABNJTVDPCTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrF2N2/c1-5-14(6-2,19(3)4)13(18)11-10(16)8-7-9(15)12(11)17/h7-8,13H,5-6,18H2,1-4H3.
What are the key properties of 1-(3-bromo-2,6-difluorophenyl)-2-ethyl-2-N,2-N-dimethylbutane-1,2-diamine?
1-(3-bromo-2,6-difluorophenyl)-2-ethyl-2-N,2-N-dimethylbutane-1,2-diamine has a molecular weight of 335.24 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2,6-difluorophenyl)-2-ethyl-2-N,2-N-dimethylbutane-1,2-diamine is sourced from PubChem (CID 106942739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).