N-(2-bromophenyl)-N'-[(2-chloro-4-fluorophenyl)methyl]-N'-methylethane-1,2-diamine

C16H17BrClFN2 — CID 91255703

IUPACN-(2-bromophenyl)-N'-[(2-chloro-4-fluorophenyl)methyl]-N'-methylethane-1,2-diamine
SMILESCN(CCNc1ccccc1Br)Cc1ccc(F)cc1Cl
InChIInChI=1S/C16H17BrClFN2/c1-21(11-12-6-7-13(19)10-15(12)18)9-8-20-16-5-3-2-4-14(16)17/h2-7,10,20H,8-9,11H2,1H3
InChIKeyOWSNPHQDWACDLF-UHFFFAOYSA-N
MW371.68 g/mol
LogP4.79
Rot. Bonds6

About N-(2-bromophenyl)-N'-[(2-chloro-4-fluorophenyl)methyl]-N'-methylethane-1,2-diamine

N-(2-bromophenyl)-N'-[(2-chloro-4-fluorophenyl)methyl]-N'-methylethane-1,2-diamine (PubChem CID 91255703) has the molecular formula C16H17BrClFN2 and a molecular weight of 371.68 g/mol. Its IUPAC name is N-(2-bromophenyl)-N'-[(2-chloro-4-fluorophenyl)methyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-bromophenyl)-N'-[(2-chloro-4-fluorophenyl)methyl]-N'-methylethane-1,2-diamine
PubChem CID91255703
Molecular FormulaC16H17BrClFN2
Molecular Weight371.68 g/mol
Exact Mass370.02
IUPAC NameN-(2-bromophenyl)-N'-[(2-chloro-4-fluorophenyl)methyl]-N'-methylethane-1,2-diamine
SMILESCN(CCNc1ccccc1Br)Cc1ccc(F)cc1Cl
InChIInChI=1S/C16H17BrClFN2/c1-21(11-12-6-7-13(19)10-15(12)18)9-8-20-16-5-3-2-4-14(16)17/h2-7,10,20H,8-9,11H2,1H3
InChIKeyOWSNPHQDWACDLF-UHFFFAOYSA-N
XLogP4.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.68
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 18778388
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N-[(2-chloro-6-fluorophenyl)methyl]-N'-phenylethane-1,2-diamine
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N-[(2-chlorophenyl)methyl]-3-fluoroaniline
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N-[(2-chlorophenyl)methyl]-2-fluoroaniline
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1-N-[(4-bromo-2-fluorophenyl)methyl]-4-chlorobenzene-1,2-diamine
CID 14952999
N-[(2-chloro-4-fluorophenyl)methyl]aniline
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N-benzyl-2-bromo-4-fluoroaniline
CID 28938852
N-[3-bromo-1-(2-chlorophenyl)butyl]-3-(trifluoromethyl)aniline
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3-bromo-N-[(1R)-1-(4-chloro-3-methylphenyl)propyl]-4-fluoro-N-methylaniline
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3-bromo-N-[(1R)-1-(4-chloro-3-methylphenyl)propyl]-4-fluoroaniline
CID 59393851

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-N'-[(2-chloro-4-fluorophenyl)methyl]-N'-methylethane-1,2-diamine?
The IUPAC name of N-(2-bromophenyl)-N'-[(2-chloro-4-fluorophenyl)methyl]-N'-methylethane-1,2-diamine (CID 91255703) is N-(2-bromophenyl)-N'-[(2-chloro-4-fluorophenyl)methyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-(2-bromophenyl)-N'-[(2-chloro-4-fluorophenyl)methyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N-(2-bromophenyl)-N'-[(2-chloro-4-fluorophenyl)methyl]-N'-methylethane-1,2-diamine is CN(CCNc1ccccc1Br)Cc1ccc(F)cc1Cl.
What is the InChIKey of N-(2-bromophenyl)-N'-[(2-chloro-4-fluorophenyl)methyl]-N'-methylethane-1,2-diamine?
The InChIKey is OWSNPHQDWACDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClFN2/c1-21(11-12-6-7-13(19)10-15(12)18)9-8-20-16-5-3-2-4-14(16)17/h2-7,10,20H,8-9,11H2,1H3.
What are the key properties of N-(2-bromophenyl)-N'-[(2-chloro-4-fluorophenyl)methyl]-N'-methylethane-1,2-diamine?
N-(2-bromophenyl)-N'-[(2-chloro-4-fluorophenyl)methyl]-N'-methylethane-1,2-diamine has a molecular weight of 371.68 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-N'-[(2-chloro-4-fluorophenyl)methyl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 91255703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).