1-(4-bromo-3-chloro-2-fluorophenyl)-2-N,2-N-diethyl-2-methylpropane-1,2-diamine

C14H21BrClFN2 — CID 106762692

IUPAC1-(4-bromo-3-chloro-2-fluorophenyl)-2-N,2-N-diethyl-2-methylpropane-1,2-diamine
SMILESCCN(CC)C(C)(C)C(N)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C14H21BrClFN2/c1-5-19(6-2)14(3,4)13(18)9-7-8-10(15)11(16)12(9)17/h7-8,13H,5-6,18H2,1-4H3
InChIKeyLINRPZPHJPABHZ-UHFFFAOYSA-N
MW351.69 g/mol
LogP4.36
Rot. Bonds5

About 1-(4-bromo-3-chloro-2-fluorophenyl)-2-N,2-N-diethyl-2-methylpropane-1,2-diamine

1-(4-bromo-3-chloro-2-fluorophenyl)-2-N,2-N-diethyl-2-methylpropane-1,2-diamine (PubChem CID 106762692) has the molecular formula C14H21BrClFN2 and a molecular weight of 351.69 g/mol. Its IUPAC name is 1-(4-bromo-3-chloro-2-fluorophenyl)-2-N,2-N-diethyl-2-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-(4-bromo-3-chloro-2-fluorophenyl)-2-N,2-N-diethyl-2-methylpropane-1,2-diamine
PubChem CID106762692
Molecular FormulaC14H21BrClFN2
Molecular Weight351.69 g/mol
Exact Mass350.06
IUPAC Name1-(4-bromo-3-chloro-2-fluorophenyl)-2-N,2-N-diethyl-2-methylpropane-1,2-diamine
SMILESCCN(CC)C(C)(C)C(N)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C14H21BrClFN2/c1-5-19(6-2)14(3,4)13(18)9-7-8-10(15)11(16)12(9)17/h7-8,13H,5-6,18H2,1-4H3
InChIKeyLINRPZPHJPABHZ-UHFFFAOYSA-N
XLogP4.36
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.69
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromo-3-chloro-2-fluorophenyl)-2-methylbutan-1-amine
CID 106762503
2-(azepan-1-yl)-1-(4-bromo-3-chloro-2-fluorophenyl)-2-methylpropan-1-amine
CID 106762702
1-(4-bromo-3-chloro-2-fluorophenyl)-N-ethyl-2,2-dimethylbutan-1-amine
CID 106764707
(4-bromo-3-chloro-2-fluorophenyl)-(4-ethylsulfanylphenyl)methanamine
CID 106848615
1-(4-bromo-3-chloro-2-fluorophenyl)-N,3,3-trimethylbutan-1-amine
CID 106762511
[1-(4-bromo-3-chloro-2-fluorophenyl)-2-ethylbutyl]hydrazine
CID 106765455
(4-bromo-3-chloro-2-fluorophenyl)-(4-methylphenyl)methanol
CID 106761323
(4-bromo-3-chloro-2-fluorophenyl)-(2-fluoro-3-methylphenyl)methanamine
CID 106764463
1-(4-bromo-3-chloro-2-fluorophenyl)-2-(tert-butylamino)ethanol
CID 106763745
(4-bromo-3-chloro-2-fluorophenyl)-(3-ethylthiophen-2-yl)methanamine
CID 106764566
tert-butyl 2-(4-bromo-3-chloro-2-fluorophenyl)propanoate
CID 106763332
1-(4-bromo-3-chloro-2-fluorophenyl)-4-methoxypentan-1-amine
CID 106764719

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chloro-2-fluorophenyl)-2-N,2-N-diethyl-2-methylpropane-1,2-diamine?
The IUPAC name of 1-(4-bromo-3-chloro-2-fluorophenyl)-2-N,2-N-diethyl-2-methylpropane-1,2-diamine (CID 106762692) is 1-(4-bromo-3-chloro-2-fluorophenyl)-2-N,2-N-diethyl-2-methylpropane-1,2-diamine.
What is the SMILES notation for 1-(4-bromo-3-chloro-2-fluorophenyl)-2-N,2-N-diethyl-2-methylpropane-1,2-diamine?
The canonical SMILES for 1-(4-bromo-3-chloro-2-fluorophenyl)-2-N,2-N-diethyl-2-methylpropane-1,2-diamine is CCN(CC)C(C)(C)C(N)c1ccc(Br)c(Cl)c1F.
What is the InChIKey of 1-(4-bromo-3-chloro-2-fluorophenyl)-2-N,2-N-diethyl-2-methylpropane-1,2-diamine?
The InChIKey is LINRPZPHJPABHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrClFN2/c1-5-19(6-2)14(3,4)13(18)9-7-8-10(15)11(16)12(9)17/h7-8,13H,5-6,18H2,1-4H3.
What are the key properties of 1-(4-bromo-3-chloro-2-fluorophenyl)-2-N,2-N-diethyl-2-methylpropane-1,2-diamine?
1-(4-bromo-3-chloro-2-fluorophenyl)-2-N,2-N-diethyl-2-methylpropane-1,2-diamine has a molecular weight of 351.69 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-chloro-2-fluorophenyl)-2-N,2-N-diethyl-2-methylpropane-1,2-diamine is sourced from PubChem (CID 106762692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).