1-(4-bromo-2-fluorophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)ethane-1,2-diamine

C16H19BrFN3 — CID 43364611

IUPAC1-(4-bromo-2-fluorophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)ethane-1,2-diamine
SMILESCN(CCc1ccccn1)C(CN)c1ccc(Br)cc1F
InChIInChI=1S/C16H19BrFN3/c1-21(9-7-13-4-2-3-8-20-13)16(11-19)14-6-5-12(17)10-15(14)18/h2-6,8,10,16H,7,9,11,19H2,1H3
InChIKeyRLLSEZSAXXEBOM-UHFFFAOYSA-N
MW352.25 g/mol
LogP3.16
Rot. Bonds6

About 1-(4-bromo-2-fluorophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)ethane-1,2-diamine

1-(4-bromo-2-fluorophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)ethane-1,2-diamine (PubChem CID 43364611) has the molecular formula C16H19BrFN3 and a molecular weight of 352.25 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)ethane-1,2-diamine
PubChem CID43364611
Molecular FormulaC16H19BrFN3
Molecular Weight352.25 g/mol
Exact Mass351.07
IUPAC Name1-(4-bromo-2-fluorophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)ethane-1,2-diamine
SMILESCN(CCc1ccccn1)C(CN)c1ccc(Br)cc1F
InChIInChI=1S/C16H19BrFN3/c1-21(9-7-13-4-2-3-8-20-13)16(11-19)14-6-5-12(17)10-15(14)18/h2-6,8,10,16H,7,9,11,19H2,1H3
InChIKeyRLLSEZSAXXEBOM-UHFFFAOYSA-N
XLogP3.16
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.25
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluoro-3-methylphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)ethane-1,2-diamine
CID 62120076
1-(4-bromo-2-fluorophenyl)-N-[2-(dimethylamino)ethyl]-N-methylethane-1,2-diamine
CID 63694470
1-(4-chloro-2-fluorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 114842894
1-(2-methoxyphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)ethane-1,2-diamine
CID 43187219
1-(3-bromo-4-methylphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)ethane-1,2-diamine
CID 105404697
N-benzyl-1-(4-bromo-2-fluorophenyl)-N-methylethane-1,2-diamine
CID 43364608
1-(4-bromo-2-fluorophenyl)-N-(2-ethoxyethyl)-N-methylethane-1,2-diamine
CID 81059193
1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-(2-pyridin-2-ylethyl)ethane-1,2-diamine
CID 115989833
1-(4-bromo-2-fluorophenyl)-N-(cyclopropylmethyl)-N-methylethane-1,2-diamine
CID 54883966
2-(aminomethyl)-4-bromo-N-methyl-N-(2-pyridin-2-ylethyl)aniline
CID 114889441
1-(4-bromo-2-fluorophenyl)-N-[(3-chlorophenyl)methyl]-N-methylethane-1,2-diamine
CID 61413518
1-(4-bromo-2-fluorophenyl)-N-butan-2-yl-N-methylethane-1,2-diamine
CID 43272757

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)ethane-1,2-diamine?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)ethane-1,2-diamine (CID 43364611) is 1-(4-bromo-2-fluorophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)ethane-1,2-diamine is CN(CCc1ccccn1)C(CN)c1ccc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)ethane-1,2-diamine?
The InChIKey is RLLSEZSAXXEBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrFN3/c1-21(9-7-13-4-2-3-8-20-13)16(11-19)14-6-5-12(17)10-15(14)18/h2-6,8,10,16H,7,9,11,19H2,1H3.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)ethane-1,2-diamine?
1-(4-bromo-2-fluorophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)ethane-1,2-diamine has a molecular weight of 352.25 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)ethane-1,2-diamine is sourced from PubChem (CID 43364611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).