1-(3-bromophenyl)-N-(3-fluorophenyl)ethane-1,2-diamine

C14H14BrFN2 — CID 65382973

IUPAC1-(3-bromophenyl)-N-(3-fluorophenyl)ethane-1,2-diamine
SMILESNCC(Nc1cccc(F)c1)c1cccc(Br)c1
InChIInChI=1S/C14H14BrFN2/c15-11-4-1-3-10(7-11)14(9-17)18-13-6-2-5-12(16)8-13/h1-8,14,18H,9,17H2
InChIKeyXADGEBDEAZCRAU-UHFFFAOYSA-N
MW309.18 g/mol
LogP3.70
Rot. Bonds4

About 1-(3-bromophenyl)-N-(3-fluorophenyl)ethane-1,2-diamine

1-(3-bromophenyl)-N-(3-fluorophenyl)ethane-1,2-diamine (PubChem CID 65382973) has the molecular formula C14H14BrFN2 and a molecular weight of 309.18 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-(3-fluorophenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-(3-fluorophenyl)ethane-1,2-diamine
PubChem CID65382973
Molecular FormulaC14H14BrFN2
Molecular Weight309.18 g/mol
Exact Mass308.03
IUPAC Name1-(3-bromophenyl)-N-(3-fluorophenyl)ethane-1,2-diamine
SMILESNCC(Nc1cccc(F)c1)c1cccc(Br)c1
InChIInChI=1S/C14H14BrFN2/c15-11-4-1-3-10(7-11)14(9-17)18-13-6-2-5-12(16)8-13/h1-8,14,18H,9,17H2
InChIKeyXADGEBDEAZCRAU-UHFFFAOYSA-N
XLogP3.70
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.18
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)-2-(3-fluoroanilino)ethanol
CID 61048900
1-(4-bromo-2-fluorophenyl)-N-(3-fluorophenyl)ethane-1,2-diamine
CID 65383822
N-(3-bromophenyl)-1-pyridin-3-ylethane-1,2-diamine
CID 65378943
1-(3-bromophenyl)-N-(3-chloro-4-methylphenyl)ethane-1,2-diamine
CID 104721910
N-(3-fluorophenyl)-1-(4-methoxy-3-methylphenyl)ethane-1,2-diamine
CID 65385518
N-(3-bromophenyl)-1-(3-fluoro-4-methoxyphenyl)ethane-1,2-diamine
CID 65378731
N-(3-bromophenyl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 65378734
1-(4-bromo-5-chlorothiophen-2-yl)-N-(3-fluorophenyl)ethane-1,2-diamine
CID 102839520
N,1-bis(3-chlorophenyl)ethane-1,2-diamine
CID 65383380
N-(3-chloro-5-fluorophenyl)-1-(3-chlorophenyl)ethane-1,2-diamine
CID 107364593
N-(3-fluorophenyl)-1-(6-methoxy-3-pyridinyl)ethane-1,2-diamine
CID 114937210
N-(3-bromophenyl)-1-(4-ethoxyphenyl)ethane-1,2-diamine
CID 65376857

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-(3-fluorophenyl)ethane-1,2-diamine?
The IUPAC name of 1-(3-bromophenyl)-N-(3-fluorophenyl)ethane-1,2-diamine (CID 65382973) is 1-(3-bromophenyl)-N-(3-fluorophenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(3-bromophenyl)-N-(3-fluorophenyl)ethane-1,2-diamine?
The canonical SMILES for 1-(3-bromophenyl)-N-(3-fluorophenyl)ethane-1,2-diamine is NCC(Nc1cccc(F)c1)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-N-(3-fluorophenyl)ethane-1,2-diamine?
The InChIKey is XADGEBDEAZCRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2/c15-11-4-1-3-10(7-11)14(9-17)18-13-6-2-5-12(16)8-13/h1-8,14,18H,9,17H2.
What are the key properties of 1-(3-bromophenyl)-N-(3-fluorophenyl)ethane-1,2-diamine?
1-(3-bromophenyl)-N-(3-fluorophenyl)ethane-1,2-diamine has a molecular weight of 309.18 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-(3-fluorophenyl)ethane-1,2-diamine is sourced from PubChem (CID 65382973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).