1-(3-bromo-2-fluorophenyl)-N',N'-dimethylpropane-1,3-diamine

C11H16BrFN2 — CID 106645991

IUPAC1-(3-bromo-2-fluorophenyl)-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCC(N)c1cccc(Br)c1F
InChIInChI=1S/C11H16BrFN2/c1-15(2)7-6-10(14)8-4-3-5-9(12)11(8)13/h3-5,10H,6-7,14H2,1-2H3
InChIKeyZDSYELZGWXYZSK-UHFFFAOYSA-N
MW275.16 g/mol
LogP2.54
Rot. Bonds4

About 1-(3-bromo-2-fluorophenyl)-N',N'-dimethylpropane-1,3-diamine

1-(3-bromo-2-fluorophenyl)-N',N'-dimethylpropane-1,3-diamine (PubChem CID 106645991) has the molecular formula C11H16BrFN2 and a molecular weight of 275.16 g/mol. Its IUPAC name is 1-(3-bromo-2-fluorophenyl)-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(3-bromo-2-fluorophenyl)-N',N'-dimethylpropane-1,3-diamine
PubChem CID106645991
Molecular FormulaC11H16BrFN2
Molecular Weight275.16 g/mol
Exact Mass274.05
IUPAC Name1-(3-bromo-2-fluorophenyl)-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCC(N)c1cccc(Br)c1F
InChIInChI=1S/C11H16BrFN2/c1-15(2)7-6-10(14)8-4-3-5-9(12)11(8)13/h3-5,10H,6-7,14H2,1-2H3
InChIKeyZDSYELZGWXYZSK-UHFFFAOYSA-N
XLogP2.54
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.16
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-2-fluorophenyl)butan-1-amine
CID 103692974
(1R)-1-(3-bromo-2-fluorophenyl)propan-1-amine
CID 131190372
(1R)-1-(3-bromo-2-fluorophenyl)-2-fluoroethanamine
CID 124707209
1-(3-bromo-2-fluorophenyl)undecan-1-amine
CID 107952817
1-(2-fluorophenyl)-N',N'-dimethylpropane-1,3-diamine
CID 62644975
(1R)-1-(3-bromo-2-fluorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride
CID 171203694
1-(3-bromo-2-fluorophenyl)-4-methoxypentan-1-amine
CID 106647954
(1R)-1-(3-bromo-2-fluorophenyl)-3-methylbutan-1-amine
CID 130869354
(1R)-1-(3-bromo-2-fluorophenyl)pentane-1,5-diamine;hydrochloride
CID 171203680
(2R)-2-amino-2-(3-bromo-2-fluorophenyl)ethanol
CID 66514745
1-(3-bromo-2-fluorophenyl)-3-(4-methylphenyl)propan-1-amine
CID 106647676
1-(3-bromo-2-fluorophenyl)-3-methylbut-3-en-1-amine
CID 107953308

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-fluorophenyl)-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of 1-(3-bromo-2-fluorophenyl)-N',N'-dimethylpropane-1,3-diamine (CID 106645991) is 1-(3-bromo-2-fluorophenyl)-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for 1-(3-bromo-2-fluorophenyl)-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for 1-(3-bromo-2-fluorophenyl)-N',N'-dimethylpropane-1,3-diamine is CN(C)CCC(N)c1cccc(Br)c1F.
What is the InChIKey of 1-(3-bromo-2-fluorophenyl)-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is ZDSYELZGWXYZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrFN2/c1-15(2)7-6-10(14)8-4-3-5-9(12)11(8)13/h3-5,10H,6-7,14H2,1-2H3.
What are the key properties of 1-(3-bromo-2-fluorophenyl)-N',N'-dimethylpropane-1,3-diamine?
1-(3-bromo-2-fluorophenyl)-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 275.16 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-fluorophenyl)-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 106645991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).