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

C15H24BrFN2 — CID 79706916

IUPACN'-[(3-bromo-5-fluorophenyl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CN(CCN(C)C)Cc1cc(F)cc(Br)c1
InChIInChI=1S/C15H24BrFN2/c1-12(2)10-19(6-5-18(3)4)11-13-7-14(16)9-15(17)8-13/h7-9,12H,5-6,10-11H2,1-4H3
InChIKeyGSJXIEWXIGLIDK-UHFFFAOYSA-N
MW331.27 g/mol
LogP3.61
Rot. Bonds7

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

N'-[(3-bromo-5-fluorophenyl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine (PubChem CID 79706916) has the molecular formula C15H24BrFN2 and a molecular weight of 331.27 g/mol. Its IUPAC name is N'-[(3-bromo-5-fluorophenyl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(3-bromo-5-fluorophenyl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
PubChem CID79706916
Molecular FormulaC15H24BrFN2
Molecular Weight331.27 g/mol
Exact Mass330.11
IUPAC NameN'-[(3-bromo-5-fluorophenyl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CN(CCN(C)C)Cc1cc(F)cc(Br)c1
InChIInChI=1S/C15H24BrFN2/c1-12(2)10-19(6-5-18(3)4)11-13-7-14(16)9-15(17)8-13/h7-9,12H,5-6,10-11H2,1-4H3
InChIKeyGSJXIEWXIGLIDK-UHFFFAOYSA-N
XLogP3.61
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.27
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[(3-bromophenyl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 55009385
2-bromo-N-[(3-bromo-5-fluorophenyl)methyl]-N-methylpropan-1-amine
CID 80666711
2-(3-bromo-5-fluorophenyl)-N,N-dimethylethanamine
CID 171396178
N'-[(3-bromo-5-fluorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 79706521
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-N-[(3-bromo-5-fluorophenyl)methyl]-2-N-methylpropane-1,2-diamine;hydrochloride
CID 119924830
2-[(3-bromo-5-fluorophenyl)methyl-propylamino]ethanol
CID 79673319
N'-[(3,5-difluorophenyl)methyl]-N,N-dimethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 16676739
N-[(3-bromo-5-fluorophenyl)methyl]-3-chloro-N-propan-2-ylpropan-1-amine
CID 79708461
N-[(3-bromo-5-fluorophenyl)methyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine
CID 79673320
4-[(3-bromo-5-fluorophenyl)methyl-methylamino]butanoic acid
CID 79701722

Frequently Asked Questions

What is the IUPAC name of N'-[(3-bromo-5-fluorophenyl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of N'-[(3-bromo-5-fluorophenyl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine (CID 79706916) is N'-[(3-bromo-5-fluorophenyl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[(3-bromo-5-fluorophenyl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for N'-[(3-bromo-5-fluorophenyl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine is CC(C)CN(CCN(C)C)Cc1cc(F)cc(Br)c1.
What is the InChIKey of N'-[(3-bromo-5-fluorophenyl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is GSJXIEWXIGLIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrFN2/c1-12(2)10-19(6-5-18(3)4)11-13-7-14(16)9-15(17)8-13/h7-9,12H,5-6,10-11H2,1-4H3.
What are the key properties of N'-[(3-bromo-5-fluorophenyl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
N'-[(3-bromo-5-fluorophenyl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 331.27 g/mol, XLogP of 3.61, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-bromo-5-fluorophenyl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 79706916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).