N'-[(3-bromo-5-fluorophenyl)methyl]-N'-methylethane-1,2-diamine

C10H14BrFN2 — CID 79706521

IUPACN'-[(3-bromo-5-fluorophenyl)methyl]-N'-methylethane-1,2-diamine
SMILESCN(CCN)Cc1cc(F)cc(Br)c1
InChIInChI=1S/C10H14BrFN2/c1-14(3-2-13)7-8-4-9(11)6-10(12)5-8/h4-6H,2-3,7,13H2,1H3
InChIKeyWLVMVHFXKLVZTL-UHFFFAOYSA-N
MW261.14 g/mol
LogP1.98
Rot. Bonds4

About N'-[(3-bromo-5-fluorophenyl)methyl]-N'-methylethane-1,2-diamine

N'-[(3-bromo-5-fluorophenyl)methyl]-N'-methylethane-1,2-diamine (PubChem CID 79706521) has the molecular formula C10H14BrFN2 and a molecular weight of 261.14 g/mol. Its IUPAC name is N'-[(3-bromo-5-fluorophenyl)methyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(3-bromo-5-fluorophenyl)methyl]-N'-methylethane-1,2-diamine
PubChem CID79706521
Molecular FormulaC10H14BrFN2
Molecular Weight261.14 g/mol
Exact Mass260.03
IUPAC NameN'-[(3-bromo-5-fluorophenyl)methyl]-N'-methylethane-1,2-diamine
SMILESCN(CCN)Cc1cc(F)cc(Br)c1
InChIInChI=1S/C10H14BrFN2/c1-14(3-2-13)7-8-4-9(11)6-10(12)5-8/h4-6H,2-3,7,13H2,1H3
InChIKeyWLVMVHFXKLVZTL-UHFFFAOYSA-N
XLogP1.98
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.14
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[(3-bromo-5-fluorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine
CID 79702116
4-[(3-bromo-5-fluorophenyl)methyl-methylamino]butanoic acid
CID 79701722
2-bromo-N-[(3-bromo-5-fluorophenyl)methyl]-N-methylpropan-1-amine
CID 80666711
2-N-[(3-bromo-5-fluorophenyl)methyl]-2-N-methylpropane-1,2-diamine;hydrochloride
CID 119924830
2-(3-bromo-5-fluorophenyl)-N,N-dimethylethanamine
CID 171396178
1-(3-bromo-5-fluorophenyl)-N-[(5-bromothiophen-3-yl)methyl]-N-methylmethanamine
CID 79706654
3-[(3-bromo-5-fluorophenyl)methyl-methylamino]-2-methylpropanoic acid
CID 79701588
N-[(3-bromo-5-fluorophenyl)methyl]-N-methylpentan-3-amine
CID 79706560
2-[(3,5-dibromophenyl)methyl-methylamino]ethanol
CID 107972037
1-[[(3-bromo-5-fluorophenyl)methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105416319
N'-[(3-bromo-5-fluorophenyl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 79706916
N-[(3-bromo-5-fluorophenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine
CID 79717100

Frequently Asked Questions

What is the IUPAC name of N'-[(3-bromo-5-fluorophenyl)methyl]-N'-methylethane-1,2-diamine?
The IUPAC name of N'-[(3-bromo-5-fluorophenyl)methyl]-N'-methylethane-1,2-diamine (CID 79706521) is N'-[(3-bromo-5-fluorophenyl)methyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-[(3-bromo-5-fluorophenyl)methyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-[(3-bromo-5-fluorophenyl)methyl]-N'-methylethane-1,2-diamine is CN(CCN)Cc1cc(F)cc(Br)c1.
What is the InChIKey of N'-[(3-bromo-5-fluorophenyl)methyl]-N'-methylethane-1,2-diamine?
The InChIKey is WLVMVHFXKLVZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrFN2/c1-14(3-2-13)7-8-4-9(11)6-10(12)5-8/h4-6H,2-3,7,13H2,1H3.
What are the key properties of N'-[(3-bromo-5-fluorophenyl)methyl]-N'-methylethane-1,2-diamine?
N'-[(3-bromo-5-fluorophenyl)methyl]-N'-methylethane-1,2-diamine has a molecular weight of 261.14 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-bromo-5-fluorophenyl)methyl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 79706521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).