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

C14H14Cl2N2 — CID 65377297

IUPACN,1-bis(2-chlorophenyl)ethane-1,2-diamine
SMILESNCC(Nc1ccccc1Cl)c1ccccc1Cl
InChIInChI=1S/C14H14Cl2N2/c15-11-6-2-1-5-10(11)14(9-17)18-13-8-4-3-7-12(13)16/h1-8,14,18H,9,17H2
InChIKeyOBFQUBUIWRYWMV-UHFFFAOYSA-N
MW281.19 g/mol
LogP4.11
Rot. Bonds4

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

N,1-bis(2-chlorophenyl)ethane-1,2-diamine (PubChem CID 65377297) has the molecular formula C14H14Cl2N2 and a molecular weight of 281.19 g/mol. Its IUPAC name is N,1-bis(2-chlorophenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,1-bis(2-chlorophenyl)ethane-1,2-diamine
PubChem CID65377297
Molecular FormulaC14H14Cl2N2
Molecular Weight281.19 g/mol
Exact Mass280.05
IUPAC NameN,1-bis(2-chlorophenyl)ethane-1,2-diamine
SMILESNCC(Nc1ccccc1Cl)c1ccccc1Cl
InChIInChI=1S/C14H14Cl2N2/c15-11-6-2-1-5-10(11)14(9-17)18-13-8-4-3-7-12(13)16/h1-8,14,18H,9,17H2
InChIKeyOBFQUBUIWRYWMV-UHFFFAOYSA-N
XLogP4.11
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.19
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromophenyl)-1-(2-chlorophenyl)ethane-1,2-diamine
CID 65383000
N-(2-chlorophenyl)-1-(2,3-dimethylphenyl)ethane-1,2-diamine
CID 65376884
1-(5-chloro-2-fluorophenyl)-N-(2-chlorophenyl)ethane-1,2-diamine
CID 114843280
1-(1-benzothiophen-3-yl)-N-(2-chlorophenyl)ethane-1,2-diamine
CID 65377930
N-(2-chlorophenyl)-1-quinolin-8-ylethane-1,2-diamine
CID 65378756
N-(2-chlorophenyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 65377098
1-(4-bromophenyl)-N-(2-chlorophenyl)ethane-1,2-diamine
CID 65378132
1-(2-chloro-6-fluorophenyl)-N-(2-chlorophenyl)ethane-1,2-diamine
CID 65378133
N-(2-chlorophenyl)-1-pyridin-4-ylethane-1,2-diamine
CID 82131040
1-(2,3-dichlorophenyl)-N-(2-fluorophenyl)ethane-1,2-diamine
CID 65378776
1-(4-tert-butylphenyl)-N-(2-chlorophenyl)ethane-1,2-diamine
CID 65379394
N-(2-chlorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 112669529

Frequently Asked Questions

What is the IUPAC name of N,1-bis(2-chlorophenyl)ethane-1,2-diamine?
The IUPAC name of N,1-bis(2-chlorophenyl)ethane-1,2-diamine (CID 65377297) is N,1-bis(2-chlorophenyl)ethane-1,2-diamine.
What is the SMILES notation for N,1-bis(2-chlorophenyl)ethane-1,2-diamine?
The canonical SMILES for N,1-bis(2-chlorophenyl)ethane-1,2-diamine is NCC(Nc1ccccc1Cl)c1ccccc1Cl.
What is the InChIKey of N,1-bis(2-chlorophenyl)ethane-1,2-diamine?
The InChIKey is OBFQUBUIWRYWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2/c15-11-6-2-1-5-10(11)14(9-17)18-13-8-4-3-7-12(13)16/h1-8,14,18H,9,17H2.
What are the key properties of N,1-bis(2-chlorophenyl)ethane-1,2-diamine?
N,1-bis(2-chlorophenyl)ethane-1,2-diamine has a molecular weight of 281.19 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-bis(2-chlorophenyl)ethane-1,2-diamine is sourced from PubChem (CID 65377297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).