N-(4-bromophenyl)-1-(2-fluorophenyl)ethane-1,2-diamine

C14H14BrFN2 — CID 65385341

IUPACN-(4-bromophenyl)-1-(2-fluorophenyl)ethane-1,2-diamine
SMILESNCC(Nc1ccc(Br)cc1)c1ccccc1F
InChIInChI=1S/C14H14BrFN2/c15-10-5-7-11(8-6-10)18-14(9-17)12-3-1-2-4-13(12)16/h1-8,14,18H,9,17H2
InChIKeyVUPLSCMKSFXIIT-UHFFFAOYSA-N
MW309.18 g/mol
LogP3.70
Rot. Bonds4

About N-(4-bromophenyl)-1-(2-fluorophenyl)ethane-1,2-diamine

N-(4-bromophenyl)-1-(2-fluorophenyl)ethane-1,2-diamine (PubChem CID 65385341) has the molecular formula C14H14BrFN2 and a molecular weight of 309.18 g/mol. Its IUPAC name is N-(4-bromophenyl)-1-(2-fluorophenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(4-bromophenyl)-1-(2-fluorophenyl)ethane-1,2-diamine
PubChem CID65385341
Molecular FormulaC14H14BrFN2
Molecular Weight309.18 g/mol
Exact Mass308.03
IUPAC NameN-(4-bromophenyl)-1-(2-fluorophenyl)ethane-1,2-diamine
SMILESNCC(Nc1ccc(Br)cc1)c1ccccc1F
InChIInChI=1S/C14H14BrFN2/c15-10-5-7-11(8-6-10)18-14(9-17)12-3-1-2-4-13(12)16/h1-8,14,18H,9,17H2
InChIKeyVUPLSCMKSFXIIT-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

1-(4-bromo-2-fluorophenyl)-N-(4-chlorophenyl)ethane-1,2-diamine
CID 65384893
N-(4-bromophenyl)-1-(2,3-dichlorophenyl)ethane-1,2-diamine
CID 65385758
1-(4-bromo-3-fluorophenyl)-N-(4-bromophenyl)ethane-1,2-diamine
CID 81437083
N-(4-bromophenyl)-1-quinolin-8-ylethane-1,2-diamine
CID 65384916
1-(4-bromo-2-fluorophenyl)-N-(3-fluorophenyl)ethane-1,2-diamine
CID 65383822
1-(2-fluorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine
CID 65379421
N-(3-bromo-4-fluorophenyl)-1-(5-chloro-2-fluorophenyl)ethane-1,2-diamine
CID 114843404
1-(2,3-difluorophenyl)-N-(3-methylphenyl)ethane-1,2-diamine
CID 65377575
N-(3-bromo-4-fluorophenyl)-1-(2-cyclopropylphenyl)ethane-1,2-diamine
CID 104776277
1-(2-methylphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 65379210
1-(2-fluorophenyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 65383918
1-(2,5-difluorophenyl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 65377552

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-1-(2-fluorophenyl)ethane-1,2-diamine?
The IUPAC name of N-(4-bromophenyl)-1-(2-fluorophenyl)ethane-1,2-diamine (CID 65385341) is N-(4-bromophenyl)-1-(2-fluorophenyl)ethane-1,2-diamine.
What is the SMILES notation for N-(4-bromophenyl)-1-(2-fluorophenyl)ethane-1,2-diamine?
The canonical SMILES for N-(4-bromophenyl)-1-(2-fluorophenyl)ethane-1,2-diamine is NCC(Nc1ccc(Br)cc1)c1ccccc1F.
What is the InChIKey of N-(4-bromophenyl)-1-(2-fluorophenyl)ethane-1,2-diamine?
The InChIKey is VUPLSCMKSFXIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2/c15-10-5-7-11(8-6-10)18-14(9-17)12-3-1-2-4-13(12)16/h1-8,14,18H,9,17H2.
What are the key properties of N-(4-bromophenyl)-1-(2-fluorophenyl)ethane-1,2-diamine?
N-(4-bromophenyl)-1-(2-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 N-(4-bromophenyl)-1-(2-fluorophenyl)ethane-1,2-diamine is sourced from PubChem (CID 65385341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).