N-(2-bromophenyl)-1-(2-chlorophenyl)ethane-1,2-diamine

C14H14BrClN2 — CID 65383000

IUPACN-(2-bromophenyl)-1-(2-chlorophenyl)ethane-1,2-diamine
SMILESNCC(Nc1ccccc1Br)c1ccccc1Cl
InChIInChI=1S/C14H14BrClN2/c15-11-6-2-4-8-13(11)18-14(9-17)10-5-1-3-7-12(10)16/h1-8,14,18H,9,17H2
InChIKeyCGNWTQBSZHSYAH-UHFFFAOYSA-N
MW325.64 g/mol
LogP4.21
Rot. Bonds4

About N-(2-bromophenyl)-1-(2-chlorophenyl)ethane-1,2-diamine

N-(2-bromophenyl)-1-(2-chlorophenyl)ethane-1,2-diamine (PubChem CID 65383000) has the molecular formula C14H14BrClN2 and a molecular weight of 325.64 g/mol. Its IUPAC name is N-(2-bromophenyl)-1-(2-chlorophenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-bromophenyl)-1-(2-chlorophenyl)ethane-1,2-diamine
PubChem CID65383000
Molecular FormulaC14H14BrClN2
Molecular Weight325.64 g/mol
Exact Mass324.00
IUPAC NameN-(2-bromophenyl)-1-(2-chlorophenyl)ethane-1,2-diamine
SMILESNCC(Nc1ccccc1Br)c1ccccc1Cl
InChIInChI=1S/C14H14BrClN2/c15-11-6-2-4-8-13(11)18-14(9-17)10-5-1-3-7-12(10)16/h1-8,14,18H,9,17H2
InChIKeyCGNWTQBSZHSYAH-UHFFFAOYSA-N
XLogP4.21
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.64
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,1-bis(2-chlorophenyl)ethane-1,2-diamine
CID 65377297
N,1-bis(2-bromophenyl)ethane-1,2-diamine
CID 65384493
N-(2-bromophenyl)-1-(2-methylphenyl)ethane-1,2-diamine
CID 65383417
1-(2-bromophenyl)-N-(2-chloro-5-fluorophenyl)ethane-1,2-diamine
CID 107527882
2-(2-bromoanilino)-2-(2-chlorophenyl)acetamide
CID 54892077
1-(4-bromophenyl)-N-(2-chlorophenyl)ethane-1,2-diamine
CID 65378132
N-(2-chlorophenyl)-1-(2,3-dimethylphenyl)ethane-1,2-diamine
CID 65376884
1-(2,3-dichlorophenyl)-N-(2-fluorophenyl)ethane-1,2-diamine
CID 65378776
N-(2-bromophenyl)-1-(4-ethoxyphenyl)ethane-1,2-diamine
CID 65384694
1-(5-chloro-2-fluorophenyl)-N-(2-chlorophenyl)ethane-1,2-diamine
CID 114843280
N-(2-bromophenyl)-1-thiophen-3-ylethane-1,2-diamine
CID 65384490
1-(3-bromo-4-fluorophenyl)-N-(2-bromophenyl)ethane-1,2-diamine
CID 65383419

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-1-(2-chlorophenyl)ethane-1,2-diamine?
The IUPAC name of N-(2-bromophenyl)-1-(2-chlorophenyl)ethane-1,2-diamine (CID 65383000) is N-(2-bromophenyl)-1-(2-chlorophenyl)ethane-1,2-diamine.
What is the SMILES notation for N-(2-bromophenyl)-1-(2-chlorophenyl)ethane-1,2-diamine?
The canonical SMILES for N-(2-bromophenyl)-1-(2-chlorophenyl)ethane-1,2-diamine is NCC(Nc1ccccc1Br)c1ccccc1Cl.
What is the InChIKey of N-(2-bromophenyl)-1-(2-chlorophenyl)ethane-1,2-diamine?
The InChIKey is CGNWTQBSZHSYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN2/c15-11-6-2-4-8-13(11)18-14(9-17)10-5-1-3-7-12(10)16/h1-8,14,18H,9,17H2.
What are the key properties of N-(2-bromophenyl)-1-(2-chlorophenyl)ethane-1,2-diamine?
N-(2-bromophenyl)-1-(2-chlorophenyl)ethane-1,2-diamine has a molecular weight of 325.64 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-1-(2-chlorophenyl)ethane-1,2-diamine is sourced from PubChem (CID 65383000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).