4-bromo-5-fluoro-1-N-methyl-1-N-(2-pyridin-2-ylethyl)benzene-1,2-diamine

C14H15BrFN3 — CID 66110096

IUPAC4-bromo-5-fluoro-1-N-methyl-1-N-(2-pyridin-2-ylethyl)benzene-1,2-diamine
SMILESCN(CCc1ccccn1)c1cc(F)c(Br)cc1N
InChIInChI=1S/C14H15BrFN3/c1-19(7-5-10-4-2-3-6-18-10)14-9-12(16)11(15)8-13(14)17/h2-4,6,8-9H,5,7,17H2,1H3
InChIKeyUHDPWYNBYUTAQX-UHFFFAOYSA-N
MW324.20 g/mol
LogP3.24
Rot. Bonds4

About 4-bromo-5-fluoro-1-N-methyl-1-N-(2-pyridin-2-ylethyl)benzene-1,2-diamine

4-bromo-5-fluoro-1-N-methyl-1-N-(2-pyridin-2-ylethyl)benzene-1,2-diamine (PubChem CID 66110096) has the molecular formula C14H15BrFN3 and a molecular weight of 324.20 g/mol. Its IUPAC name is 4-bromo-5-fluoro-1-N-methyl-1-N-(2-pyridin-2-ylethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-bromo-5-fluoro-1-N-methyl-1-N-(2-pyridin-2-ylethyl)benzene-1,2-diamine
PubChem CID66110096
Molecular FormulaC14H15BrFN3
Molecular Weight324.20 g/mol
Exact Mass323.04
IUPAC Name4-bromo-5-fluoro-1-N-methyl-1-N-(2-pyridin-2-ylethyl)benzene-1,2-diamine
SMILESCN(CCc1ccccn1)c1cc(F)c(Br)cc1N
InChIInChI=1S/C14H15BrFN3/c1-19(7-5-10-4-2-3-6-18-10)14-9-12(16)11(15)8-13(14)17/h2-4,6,8-9H,5,7,17H2,1H3
InChIKeyUHDPWYNBYUTAQX-UHFFFAOYSA-N
XLogP3.24
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.20
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3,5-difluoro-1-N-methyl-1-N-(2-pyridin-2-ylethyl)benzene-1,2-diamine
CID 115506438
2-(aminomethyl)-4-bromo-N-methyl-N-(2-pyridin-2-ylethyl)aniline
CID 114889441
4-bromo-5-fluoro-1-N-(2-pyridin-2-ylethyl)benzene-1,2-diamine
CID 66110681
4-bromo-1-N-[2-(dimethylamino)ethyl]-5-fluoro-1-N-methylbenzene-1,2-diamine
CID 66111537
2-iodo-1-N-methyl-1-N-(2-pyridin-2-ylethyl)benzene-1,4-diamine
CID 66094959
4-(2-aminopropyl)-2-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)aniline
CID 63786109
2-(aminomethyl)-4-chloro-N-methyl-N-(2-pyridin-2-ylethyl)aniline
CID 62492965
3-bromo-4-[methyl(2-pyridin-2-ylethyl)amino]benzoic acid
CID 82800570
3-bromo-4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 103707127
2-fluoro-6-[methyl(2-pyridin-2-ylethyl)amino]benzoic acid
CID 79522521
2-(1-aminoethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline
CID 43188910
4-(bromomethyl)-N,2-dimethyl-N-(2-pyridin-2-ylethyl)aniline
CID 107079644

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-fluoro-1-N-methyl-1-N-(2-pyridin-2-ylethyl)benzene-1,2-diamine?
The IUPAC name of 4-bromo-5-fluoro-1-N-methyl-1-N-(2-pyridin-2-ylethyl)benzene-1,2-diamine (CID 66110096) is 4-bromo-5-fluoro-1-N-methyl-1-N-(2-pyridin-2-ylethyl)benzene-1,2-diamine.
What is the SMILES notation for 4-bromo-5-fluoro-1-N-methyl-1-N-(2-pyridin-2-ylethyl)benzene-1,2-diamine?
The canonical SMILES for 4-bromo-5-fluoro-1-N-methyl-1-N-(2-pyridin-2-ylethyl)benzene-1,2-diamine is CN(CCc1ccccn1)c1cc(F)c(Br)cc1N.
What is the InChIKey of 4-bromo-5-fluoro-1-N-methyl-1-N-(2-pyridin-2-ylethyl)benzene-1,2-diamine?
The InChIKey is UHDPWYNBYUTAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFN3/c1-19(7-5-10-4-2-3-6-18-10)14-9-12(16)11(15)8-13(14)17/h2-4,6,8-9H,5,7,17H2,1H3.
What are the key properties of 4-bromo-5-fluoro-1-N-methyl-1-N-(2-pyridin-2-ylethyl)benzene-1,2-diamine?
4-bromo-5-fluoro-1-N-methyl-1-N-(2-pyridin-2-ylethyl)benzene-1,2-diamine has a molecular weight of 324.20 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-fluoro-1-N-methyl-1-N-(2-pyridin-2-ylethyl)benzene-1,2-diamine is sourced from PubChem (CID 66110096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).