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

C14H14BrClN2 — CID 65378132

IUPAC1-(4-bromophenyl)-N-(2-chlorophenyl)ethane-1,2-diamine
SMILESNCC(Nc1ccccc1Cl)c1ccc(Br)cc1
InChIInChI=1S/C14H14BrClN2/c15-11-7-5-10(6-8-11)14(9-17)18-13-4-2-1-3-12(13)16/h1-8,14,18H,9,17H2
InChIKeyLTWWSTXCHIENMO-UHFFFAOYSA-N
MW325.64 g/mol
LogP4.21
Rot. Bonds4

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

1-(4-bromophenyl)-N-(2-chlorophenyl)ethane-1,2-diamine (PubChem CID 65378132) has the molecular formula C14H14BrClN2 and a molecular weight of 325.64 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-(2-chlorophenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-(2-chlorophenyl)ethane-1,2-diamine
PubChem CID65378132
Molecular FormulaC14H14BrClN2
Molecular Weight325.64 g/mol
Exact Mass324.00
IUPAC Name1-(4-bromophenyl)-N-(2-chlorophenyl)ethane-1,2-diamine
SMILESNCC(Nc1ccccc1Cl)c1ccc(Br)cc1
InChIInChI=1S/C14H14BrClN2/c15-11-7-5-10(6-8-11)14(9-17)18-13-4-2-1-3-12(13)16/h1-8,14,18H,9,17H2
InChIKeyLTWWSTXCHIENMO-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-(2-chlorophenyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 65377098
1-(4-tert-butylphenyl)-N-(2-chlorophenyl)ethane-1,2-diamine
CID 65379394
N-(2-chlorophenyl)-1-pyridin-4-ylethane-1,2-diamine
CID 82131040
1-(4-bromophenyl)-N-(2-methoxyphenyl)ethane-1,2-diamine
CID 65383369
N,1-bis(2-chlorophenyl)ethane-1,2-diamine
CID 65377297
N-(3-chloro-4-pyridinyl)-1-phenylethane-1,2-diamine
CID 79840947
N-[1-(4-bromophenyl)propyl]-2,3-dichloroaniline
CID 43102521
1-(2-chloro-6-fluorophenyl)-N-(2-chlorophenyl)ethane-1,2-diamine
CID 65378133
N-(2-bromophenyl)-1-(2-chlorophenyl)ethane-1,2-diamine
CID 65383000
1-(3-bromo-4-chlorophenyl)-N-(2-fluorophenyl)ethane-1,2-diamine
CID 83230125
2-(2-chloroanilino)-2-(4-chlorophenyl)ethanol
CID 61048136
2-chloro-N-[1-(4-chlorophenyl)but-3-enyl]aniline
CID 11335311

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-(2-chlorophenyl)ethane-1,2-diamine?
The IUPAC name of 1-(4-bromophenyl)-N-(2-chlorophenyl)ethane-1,2-diamine (CID 65378132) is 1-(4-bromophenyl)-N-(2-chlorophenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(4-bromophenyl)-N-(2-chlorophenyl)ethane-1,2-diamine?
The canonical SMILES for 1-(4-bromophenyl)-N-(2-chlorophenyl)ethane-1,2-diamine is NCC(Nc1ccccc1Cl)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-(2-chlorophenyl)ethane-1,2-diamine?
The InChIKey is LTWWSTXCHIENMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN2/c15-11-7-5-10(6-8-11)14(9-17)18-13-4-2-1-3-12(13)16/h1-8,14,18H,9,17H2.
What are the key properties of 1-(4-bromophenyl)-N-(2-chlorophenyl)ethane-1,2-diamine?
1-(4-bromophenyl)-N-(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 1-(4-bromophenyl)-N-(2-chlorophenyl)ethane-1,2-diamine is sourced from PubChem (CID 65378132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).