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

C14H22BrFN2 — CID 113409211

IUPACN'-[(2-bromo-5-fluorophenyl)methyl]-N-tert-butyl-N'-methylethane-1,2-diamine
SMILESCN(CCNC(C)(C)C)Cc1cc(F)ccc1Br
InChIInChI=1S/C14H22BrFN2/c1-14(2,3)17-7-8-18(4)10-11-9-12(16)5-6-13(11)15/h5-6,9,17H,7-8,10H2,1-4H3
InChIKeyLMTGCTXDFYLJIO-UHFFFAOYSA-N
MW317.25 g/mol
LogP3.41
Rot. Bonds5

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

N'-[(2-bromo-5-fluorophenyl)methyl]-N-tert-butyl-N'-methylethane-1,2-diamine (PubChem CID 113409211) has the molecular formula C14H22BrFN2 and a molecular weight of 317.25 g/mol. Its IUPAC name is N'-[(2-bromo-5-fluorophenyl)methyl]-N-tert-butyl-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(2-bromo-5-fluorophenyl)methyl]-N-tert-butyl-N'-methylethane-1,2-diamine
PubChem CID113409211
Molecular FormulaC14H22BrFN2
Molecular Weight317.25 g/mol
Exact Mass316.10
IUPAC NameN'-[(2-bromo-5-fluorophenyl)methyl]-N-tert-butyl-N'-methylethane-1,2-diamine
SMILESCN(CCNC(C)(C)C)Cc1cc(F)ccc1Br
InChIInChI=1S/C14H22BrFN2/c1-14(2,3)17-7-8-18(4)10-11-9-12(16)5-6-13(11)15/h5-6,9,17H,7-8,10H2,1-4H3
InChIKeyLMTGCTXDFYLJIO-UHFFFAOYSA-N
XLogP3.41
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.25
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-N'-[(2,5-dibromophenyl)methyl]-N'-methylethane-1,2-diamine
CID 114369376
N-tert-butyl-N'-[(4-fluoro-2-iodophenyl)methyl]-N'-methylethane-1,2-diamine
CID 114029256
N'-[(2-bromo-5-fluorophenyl)methyl]-N-cyclopropyl-N'-methylethane-1,2-diamine
CID 113409156
2-[(2-bromo-5-fluorophenyl)methyl-methylamino]ethanol
CID 62020447
3-(2-bromo-5-fluorophenyl)-N-tert-butyl-2,2-dimethylpropan-1-amine
CID 62723348
N-tert-butyl-N'-methyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine
CID 61386535
N-[3-(2-bromo-4-fluorophenyl)propyl]-2-methylpropan-2-amine
CID 62528631
2-[(2-bromo-5-fluorophenyl)methyl]-N-tert-butyl-2-methylbutan-1-amine
CID 55196819
methyl 3-[(2-bromo-5-fluorophenyl)methyl-methylamino]-2-methylpropanoate
CID 62012083
2-(2-bromo-5-fluorophenyl)-N-methyl-N-(2-methylbutan-2-yl)acetamide
CID 75430590
4-[[2-(tert-butylamino)ethyl-methylamino]methyl]-1-methylpyridin-2-one
CID 114039691
2-(2-bromo-5-fluorophenyl)ethyl-methylcarbamic acid
CID 150275747

Frequently Asked Questions

What is the IUPAC name of N'-[(2-bromo-5-fluorophenyl)methyl]-N-tert-butyl-N'-methylethane-1,2-diamine?
The IUPAC name of N'-[(2-bromo-5-fluorophenyl)methyl]-N-tert-butyl-N'-methylethane-1,2-diamine (CID 113409211) is N'-[(2-bromo-5-fluorophenyl)methyl]-N-tert-butyl-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-[(2-bromo-5-fluorophenyl)methyl]-N-tert-butyl-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-[(2-bromo-5-fluorophenyl)methyl]-N-tert-butyl-N'-methylethane-1,2-diamine is CN(CCNC(C)(C)C)Cc1cc(F)ccc1Br.
What is the InChIKey of N'-[(2-bromo-5-fluorophenyl)methyl]-N-tert-butyl-N'-methylethane-1,2-diamine?
The InChIKey is LMTGCTXDFYLJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrFN2/c1-14(2,3)17-7-8-18(4)10-11-9-12(16)5-6-13(11)15/h5-6,9,17H,7-8,10H2,1-4H3.
What are the key properties of N'-[(2-bromo-5-fluorophenyl)methyl]-N-tert-butyl-N'-methylethane-1,2-diamine?
N'-[(2-bromo-5-fluorophenyl)methyl]-N-tert-butyl-N'-methylethane-1,2-diamine has a molecular weight of 317.25 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-bromo-5-fluorophenyl)methyl]-N-tert-butyl-N'-methylethane-1,2-diamine is sourced from PubChem (CID 113409211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).