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

C14H13BrCl2N2 — CID 65385758

IUPACN-(4-bromophenyl)-1-(2,3-dichlorophenyl)ethane-1,2-diamine
SMILESNCC(Nc1ccc(Br)cc1)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H13BrCl2N2/c15-9-4-6-10(7-5-9)19-13(8-18)11-2-1-3-12(16)14(11)17/h1-7,13,19H,8,18H2
InChIKeySXVKQCKMNXUVOH-UHFFFAOYSA-N
MW360.08 g/mol
LogP4.87
Rot. Bonds4

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

N-(4-bromophenyl)-1-(2,3-dichlorophenyl)ethane-1,2-diamine (PubChem CID 65385758) has the molecular formula C14H13BrCl2N2 and a molecular weight of 360.08 g/mol. Its IUPAC name is N-(4-bromophenyl)-1-(2,3-dichlorophenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(4-bromophenyl)-1-(2,3-dichlorophenyl)ethane-1,2-diamine
PubChem CID65385758
Molecular FormulaC14H13BrCl2N2
Molecular Weight360.08 g/mol
Exact Mass357.96
IUPAC NameN-(4-bromophenyl)-1-(2,3-dichlorophenyl)ethane-1,2-diamine
SMILESNCC(Nc1ccc(Br)cc1)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H13BrCl2N2/c15-9-4-6-10(7-5-9)19-13(8-18)11-2-1-3-12(16)14(11)17/h1-7,13,19H,8,18H2
InChIKeySXVKQCKMNXUVOH-UHFFFAOYSA-N
XLogP4.87
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.08
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromophenyl)-1-(2-fluorophenyl)ethane-1,2-diamine
CID 65385341
(1S)-1-(2,3-dichlorophenyl)-N-methylethane-1,2-diamine
CID 94343262
N-(4-bromophenyl)-1-quinolin-8-ylethane-1,2-diamine
CID 65384916
2-(4-bromoanilino)-2-(2-chlorophenyl)ethanol
CID 61048256
1-(2,3-dichlorophenyl)-N-(2-fluorophenyl)ethane-1,2-diamine
CID 65378776
[2-(4-bromophenyl)sulfanyl-1-(2,3-dichlorophenyl)ethyl]hydrazine
CID 105235977
1-(4-bromo-2-fluorophenyl)-N-(4-chlorophenyl)ethane-1,2-diamine
CID 65384893
1-(4-bromophenyl)-N-(2-chlorophenyl)ethane-1,2-diamine
CID 65378132
N-(2-bromophenyl)-1-(2-chlorophenyl)ethane-1,2-diamine
CID 65383000
N,1-bis(2-chlorophenyl)ethane-1,2-diamine
CID 65377297
N-(4-chlorophenyl)-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 65385525
N-(4-chlorophenyl)-1-(2,3-dimethoxyphenyl)ethane-1,2-diamine
CID 65384896

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-1-(2,3-dichlorophenyl)ethane-1,2-diamine?
The IUPAC name of N-(4-bromophenyl)-1-(2,3-dichlorophenyl)ethane-1,2-diamine (CID 65385758) is N-(4-bromophenyl)-1-(2,3-dichlorophenyl)ethane-1,2-diamine.
What is the SMILES notation for N-(4-bromophenyl)-1-(2,3-dichlorophenyl)ethane-1,2-diamine?
The canonical SMILES for N-(4-bromophenyl)-1-(2,3-dichlorophenyl)ethane-1,2-diamine is NCC(Nc1ccc(Br)cc1)c1cccc(Cl)c1Cl.
What is the InChIKey of N-(4-bromophenyl)-1-(2,3-dichlorophenyl)ethane-1,2-diamine?
The InChIKey is SXVKQCKMNXUVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrCl2N2/c15-9-4-6-10(7-5-9)19-13(8-18)11-2-1-3-12(16)14(11)17/h1-7,13,19H,8,18H2.
What are the key properties of N-(4-bromophenyl)-1-(2,3-dichlorophenyl)ethane-1,2-diamine?
N-(4-bromophenyl)-1-(2,3-dichlorophenyl)ethane-1,2-diamine has a molecular weight of 360.08 g/mol, XLogP of 4.87, 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-(2,3-dichlorophenyl)ethane-1,2-diamine is sourced from PubChem (CID 65385758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).