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

C14H21BrF2N2 — CID 106942725

IUPAC1-(3-bromo-2,6-difluorophenyl)-1-N,2-N,2-N,2-tetramethylbutane-1,2-diamine
SMILESCCC(C)(C(NC)c1c(F)ccc(Br)c1F)N(C)C
InChIInChI=1S/C14H21BrF2N2/c1-6-14(2,19(4)5)13(18-3)11-10(16)8-7-9(15)12(11)17/h7-8,13,18H,6H2,1-5H3
InChIKeyCFNVOOOLJSHUSW-UHFFFAOYSA-N
MW335.24 g/mol
LogP3.72
Rot. Bonds5

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

1-(3-bromo-2,6-difluorophenyl)-1-N,2-N,2-N,2-tetramethylbutane-1,2-diamine (PubChem CID 106942725) has the molecular formula C14H21BrF2N2 and a molecular weight of 335.24 g/mol. Its IUPAC name is 1-(3-bromo-2,6-difluorophenyl)-1-N,2-N,2-N,2-tetramethylbutane-1,2-diamine.

Molecular Properties

Compound Name1-(3-bromo-2,6-difluorophenyl)-1-N,2-N,2-N,2-tetramethylbutane-1,2-diamine
PubChem CID106942725
Molecular FormulaC14H21BrF2N2
Molecular Weight335.24 g/mol
Exact Mass334.09
IUPAC Name1-(3-bromo-2,6-difluorophenyl)-1-N,2-N,2-N,2-tetramethylbutane-1,2-diamine
SMILESCCC(C)(C(NC)c1c(F)ccc(Br)c1F)N(C)C
InChIInChI=1S/C14H21BrF2N2/c1-6-14(2,19(4)5)13(18-3)11-10(16)8-7-9(15)12(11)17/h7-8,13,18H,6H2,1-5H3
InChIKeyCFNVOOOLJSHUSW-UHFFFAOYSA-N
XLogP3.72
TPSA15.27 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 ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-bromo-2,6-difluorophenyl)-N,N-diethyl-1-hydrazinyl-2-methylbutan-2-amine
CID 106945368
1-(3,4-difluorophenyl)-1-N,2-N,2-N,2-tetramethylbutane-1,2-diamine
CID 79063885
1-(3-bromo-2,6-difluorophenyl)-2-ethyl-2-N,2-N-dimethylbutane-1,2-diamine
CID 106942739
1-(3-bromo-2,6-difluorophenyl)-N,N-diethyl-1-hydrazinyl-2-methylpropan-2-amine
CID 106945364
1-(3-bromo-2,6-difluorophenyl)-N,2-dimethyl-2-morpholin-4-ylpropan-1-amine
CID 106942723
(1S)-1-(3-bromo-2,6-difluorophenyl)propan-1-amine;hydrochloride
CID 171224706
1-(2-bromo-5-fluorophenyl)-2-N-ethyl-3-N,3-N,3-trimethylpentane-2,3-diamine
CID 79063287
1-(3-bromo-2,6-difluorophenyl)-N-methyl-2-methylsulfanylethanamine
CID 106942409
1-(2,6-difluoro-3-methylphenyl)-2-methoxy-N,2-dimethylbutan-1-amine
CID 116757600
1-(2,6-difluorophenyl)-2-N,2-N,2-trimethylbutane-1,2-diamine
CID 79063864
1-(3-bromo-2,6-difluorophenyl)-2-cyclobutyl-N-methylethanamine
CID 106944871
1-(2,6-difluoro-3-methylphenyl)-2-ethoxy-N,2-dimethylbutan-1-amine
CID 116758744

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-1-N,2-N,2-N,2-tetramethylbutane-1,2-diamine?
The IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-1-N,2-N,2-N,2-tetramethylbutane-1,2-diamine (CID 106942725) is 1-(3-bromo-2,6-difluorophenyl)-1-N,2-N,2-N,2-tetramethylbutane-1,2-diamine.
What is the SMILES notation for 1-(3-bromo-2,6-difluorophenyl)-1-N,2-N,2-N,2-tetramethylbutane-1,2-diamine?
The canonical SMILES for 1-(3-bromo-2,6-difluorophenyl)-1-N,2-N,2-N,2-tetramethylbutane-1,2-diamine is CCC(C)(C(NC)c1c(F)ccc(Br)c1F)N(C)C.
What is the InChIKey of 1-(3-bromo-2,6-difluorophenyl)-1-N,2-N,2-N,2-tetramethylbutane-1,2-diamine?
The InChIKey is CFNVOOOLJSHUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrF2N2/c1-6-14(2,19(4)5)13(18-3)11-10(16)8-7-9(15)12(11)17/h7-8,13,18H,6H2,1-5H3.
What are the key properties of 1-(3-bromo-2,6-difluorophenyl)-1-N,2-N,2-N,2-tetramethylbutane-1,2-diamine?
1-(3-bromo-2,6-difluorophenyl)-1-N,2-N,2-N,2-tetramethylbutane-1,2-diamine has a molecular weight of 335.24 g/mol, XLogP of 3.72, 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)-1-N,2-N,2-N,2-tetramethylbutane-1,2-diamine is sourced from PubChem (CID 106942725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).