N-(3-bromophenyl)-1-(3-fluoro-4-methoxyphenyl)ethane-1,2-diamine

C15H16BrFN2O — CID 65378731

IUPACN-(3-bromophenyl)-1-(3-fluoro-4-methoxyphenyl)ethane-1,2-diamine
SMILESCOc1ccc(C(CN)Nc2cccc(Br)c2)cc1F
InChIInChI=1S/C15H16BrFN2O/c1-20-15-6-5-10(7-13(15)17)14(9-18)19-12-4-2-3-11(16)8-12/h2-8,14,19H,9,18H2,1H3
InChIKeyFGHYKAVQJHEUGF-UHFFFAOYSA-N
MW339.21 g/mol
LogP3.71
Rot. Bonds5

About N-(3-bromophenyl)-1-(3-fluoro-4-methoxyphenyl)ethane-1,2-diamine

N-(3-bromophenyl)-1-(3-fluoro-4-methoxyphenyl)ethane-1,2-diamine (PubChem CID 65378731) has the molecular formula C15H16BrFN2O and a molecular weight of 339.21 g/mol. Its IUPAC name is N-(3-bromophenyl)-1-(3-fluoro-4-methoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(3-bromophenyl)-1-(3-fluoro-4-methoxyphenyl)ethane-1,2-diamine
PubChem CID65378731
Molecular FormulaC15H16BrFN2O
Molecular Weight339.21 g/mol
Exact Mass338.04
IUPAC NameN-(3-bromophenyl)-1-(3-fluoro-4-methoxyphenyl)ethane-1,2-diamine
SMILESCOc1ccc(C(CN)Nc2cccc(Br)c2)cc1F
InChIInChI=1S/C15H16BrFN2O/c1-20-15-6-5-10(7-13(15)17)14(9-18)19-12-4-2-3-11(16)8-12/h2-8,14,19H,9,18H2,1H3
InChIKeyFGHYKAVQJHEUGF-UHFFFAOYSA-N
XLogP3.71
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.21
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-3-fluorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine
CID 81437578
N-(3-fluorophenyl)-1-(4-methoxy-3-methylphenyl)ethane-1,2-diamine
CID 65385518
N-(3-chloro-5-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethane-1,2-diamine
CID 107364475
1-(3-bromophenyl)-N-(3-fluorophenyl)ethane-1,2-diamine
CID 65382973
2-(3-bromoanilino)-2-(3-bromo-4-methoxyphenyl)ethanol
CID 61048471
N-(4-bromophenyl)-1-(3,4-dimethoxyphenyl)ethane-1,2-diamine
CID 65377060
N-(3-bromophenyl)-1-pyridin-3-ylethane-1,2-diamine
CID 65378943
N-(3-bromophenyl)-1-(4-ethoxyphenyl)ethane-1,2-diamine
CID 65376857
(3-bromophenyl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 43474225
N-(3-bromophenyl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 65378734
4-[1-bromo-2-(3-bromophenyl)ethyl]-2-fluoro-1-methoxybenzene
CID 63442669
1-(5-bromo-2-methoxyphenyl)-N-(3-methylphenyl)ethane-1,2-diamine
CID 65377367

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-1-(3-fluoro-4-methoxyphenyl)ethane-1,2-diamine?
The IUPAC name of N-(3-bromophenyl)-1-(3-fluoro-4-methoxyphenyl)ethane-1,2-diamine (CID 65378731) is N-(3-bromophenyl)-1-(3-fluoro-4-methoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-(3-bromophenyl)-1-(3-fluoro-4-methoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N-(3-bromophenyl)-1-(3-fluoro-4-methoxyphenyl)ethane-1,2-diamine is COc1ccc(C(CN)Nc2cccc(Br)c2)cc1F.
What is the InChIKey of N-(3-bromophenyl)-1-(3-fluoro-4-methoxyphenyl)ethane-1,2-diamine?
The InChIKey is FGHYKAVQJHEUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN2O/c1-20-15-6-5-10(7-13(15)17)14(9-18)19-12-4-2-3-11(16)8-12/h2-8,14,19H,9,18H2,1H3.
What are the key properties of N-(3-bromophenyl)-1-(3-fluoro-4-methoxyphenyl)ethane-1,2-diamine?
N-(3-bromophenyl)-1-(3-fluoro-4-methoxyphenyl)ethane-1,2-diamine has a molecular weight of 339.21 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-1-(3-fluoro-4-methoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 65378731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).