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

C16H25BrF2N2 — CID 106267838

IUPAC1-(3-bromo-2,6-difluorophenyl)-3-N,3-N-diethyl-2-N,3-dimethylbutane-2,3-diamine
SMILESCCN(CC)C(C)(C)C(Cc1c(F)ccc(Br)c1F)NC
InChIInChI=1S/C16H25BrF2N2/c1-6-21(7-2)16(3,4)14(20-5)10-11-13(18)9-8-12(17)15(11)19/h8-9,14,20H,6-7,10H2,1-5H3
InChIKeyMGFLWTUPUZLMNT-UHFFFAOYSA-N
MW363.29 g/mol
LogP3.98
Rot. Bonds7

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

1-(3-bromo-2,6-difluorophenyl)-3-N,3-N-diethyl-2-N,3-dimethylbutane-2,3-diamine (PubChem CID 106267838) has the molecular formula C16H25BrF2N2 and a molecular weight of 363.29 g/mol. Its IUPAC name is 1-(3-bromo-2,6-difluorophenyl)-3-N,3-N-diethyl-2-N,3-dimethylbutane-2,3-diamine.

Molecular Properties

Compound Name1-(3-bromo-2,6-difluorophenyl)-3-N,3-N-diethyl-2-N,3-dimethylbutane-2,3-diamine
PubChem CID106267838
Molecular FormulaC16H25BrF2N2
Molecular Weight363.29 g/mol
Exact Mass362.12
IUPAC Name1-(3-bromo-2,6-difluorophenyl)-3-N,3-N-diethyl-2-N,3-dimethylbutane-2,3-diamine
SMILESCCN(CC)C(C)(C)C(Cc1c(F)ccc(Br)c1F)NC
InChIInChI=1S/C16H25BrF2N2/c1-6-21(7-2)16(3,4)14(20-5)10-11-13(18)9-8-12(17)15(11)19/h8-9,14,20H,6-7,10H2,1-5H3
InChIKeyMGFLWTUPUZLMNT-UHFFFAOYSA-N
XLogP3.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.29
LogP ≤ 53.98
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)-3-N,3-N-diethyl-2-N,3-dimethylbutane-2,3-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)-3-methoxy-3-methylbutan-2-yl]hydrazine
CID 106271060
1-(3-bromo-5-fluorophenyl)-3-N,3-N-diethyl-2-N,3-dimethylbutane-2,3-diamine
CID 79709303
1-(3-bromo-2,6-difluorophenyl)-N,N-diethyl-1-hydrazinyl-2-methylpropan-2-amine
CID 106945364
1-(3-bromo-2,6-difluorophenyl)-N-methylhexan-2-amine
CID 114166237
1-(3-bromo-2,6-difluorophenyl)-3-methoxy-N-methylpropan-2-amine
CID 106267048
3-(3-bromo-2,6-difluorophenyl)-1,1-dimethoxy-N-methylpropan-2-amine
CID 106268006
[1-(3-bromo-2,6-difluorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-yl]hydrazine
CID 106271041
1-(5-bromo-2-pyridinyl)-3-N,3-N-diethyl-2-N,3-dimethylbutane-2,3-diamine
CID 104802873
3-(3-bromo-2,6-difluorophenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 106943534
2-(3-bromo-2,6-difluorophenyl)-1-(2-iodo-3-methylphenyl)-N-methylethanamine
CID 106274245
3-(3-bromo-2,6-difluorophenyl)-N-methyl-2-phenylpropan-1-amine
CID 106943910
3-(3-bromo-2,6-difluorophenyl)-2-(4-bromophenyl)-N-methylpropan-1-amine
CID 106271674

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-3-N,3-N-diethyl-2-N,3-dimethylbutane-2,3-diamine?
The IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-3-N,3-N-diethyl-2-N,3-dimethylbutane-2,3-diamine (CID 106267838) is 1-(3-bromo-2,6-difluorophenyl)-3-N,3-N-diethyl-2-N,3-dimethylbutane-2,3-diamine.
What is the SMILES notation for 1-(3-bromo-2,6-difluorophenyl)-3-N,3-N-diethyl-2-N,3-dimethylbutane-2,3-diamine?
The canonical SMILES for 1-(3-bromo-2,6-difluorophenyl)-3-N,3-N-diethyl-2-N,3-dimethylbutane-2,3-diamine is CCN(CC)C(C)(C)C(Cc1c(F)ccc(Br)c1F)NC.
What is the InChIKey of 1-(3-bromo-2,6-difluorophenyl)-3-N,3-N-diethyl-2-N,3-dimethylbutane-2,3-diamine?
The InChIKey is MGFLWTUPUZLMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrF2N2/c1-6-21(7-2)16(3,4)14(20-5)10-11-13(18)9-8-12(17)15(11)19/h8-9,14,20H,6-7,10H2,1-5H3.
What are the key properties of 1-(3-bromo-2,6-difluorophenyl)-3-N,3-N-diethyl-2-N,3-dimethylbutane-2,3-diamine?
1-(3-bromo-2,6-difluorophenyl)-3-N,3-N-diethyl-2-N,3-dimethylbutane-2,3-diamine has a molecular weight of 363.29 g/mol, XLogP of 3.98, 7 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)-3-N,3-N-diethyl-2-N,3-dimethylbutane-2,3-diamine is sourced from PubChem (CID 106267838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).