N,1-bis(3-chlorophenyl)ethane-1,2-diamine

C14H14Cl2N2 — CID 65383380

IUPACN,1-bis(3-chlorophenyl)ethane-1,2-diamine
SMILESNCC(Nc1cccc(Cl)c1)c1cccc(Cl)c1
InChIInChI=1S/C14H14Cl2N2/c15-11-4-1-3-10(7-11)14(9-17)18-13-6-2-5-12(16)8-13/h1-8,14,18H,9,17H2
InChIKeyVWFDFCKEUWVDGU-UHFFFAOYSA-N
MW281.19 g/mol
LogP4.11
Rot. Bonds4

About N,1-bis(3-chlorophenyl)ethane-1,2-diamine

N,1-bis(3-chlorophenyl)ethane-1,2-diamine (PubChem CID 65383380) has the molecular formula C14H14Cl2N2 and a molecular weight of 281.19 g/mol. Its IUPAC name is N,1-bis(3-chlorophenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,1-bis(3-chlorophenyl)ethane-1,2-diamine
PubChem CID65383380
Molecular FormulaC14H14Cl2N2
Molecular Weight281.19 g/mol
Exact Mass280.05
IUPAC NameN,1-bis(3-chlorophenyl)ethane-1,2-diamine
SMILESNCC(Nc1cccc(Cl)c1)c1cccc(Cl)c1
InChIInChI=1S/C14H14Cl2N2/c15-11-4-1-3-10(7-11)14(9-17)18-13-6-2-5-12(16)8-13/h1-8,14,18H,9,17H2
InChIKeyVWFDFCKEUWVDGU-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-(3-chloro-5-fluorophenyl)-1-(3-chlorophenyl)ethane-1,2-diamine
CID 107364593
2-(3-chloroanilino)-2-(3-chlorophenyl)ethanol
CID 61049948
N-(4-bromo-3,5-dimethylphenyl)-1-(3-chlorophenyl)ethane-1,2-diamine
CID 107573232
3-[[2-amino-1-(3-chlorophenyl)ethyl]amino]propan-1-ol
CID 65377403
1-(3,5-dichlorophenyl)-N-phenylethane-1,2-diamine
CID 65380315
N-(3-chlorophenyl)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 65384440
2-(3-bromophenyl)-2-(3-chloroanilino)ethanol
CID 61050345
1-(2-chloro-6-fluorophenyl)-N-(3-chlorophenyl)ethane-1,2-diamine
CID 65384020
N-(3-chlorophenyl)-1-(2,3-dimethylphenyl)ethane-1,2-diamine
CID 65382748
2-(3-chloroanilino)-2-(3-propan-2-yloxyphenyl)ethanol
CID 61212830
1-(5-bromothiophen-2-yl)-N-(3-chlorophenyl)ethane-1,2-diamine
CID 65385499
N-[1-(3-bromophenyl)propyl]-3-chloroaniline
CID 43762074

Frequently Asked Questions

What is the IUPAC name of N,1-bis(3-chlorophenyl)ethane-1,2-diamine?
The IUPAC name of N,1-bis(3-chlorophenyl)ethane-1,2-diamine (CID 65383380) is N,1-bis(3-chlorophenyl)ethane-1,2-diamine.
What is the SMILES notation for N,1-bis(3-chlorophenyl)ethane-1,2-diamine?
The canonical SMILES for N,1-bis(3-chlorophenyl)ethane-1,2-diamine is NCC(Nc1cccc(Cl)c1)c1cccc(Cl)c1.
What is the InChIKey of N,1-bis(3-chlorophenyl)ethane-1,2-diamine?
The InChIKey is VWFDFCKEUWVDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2/c15-11-4-1-3-10(7-11)14(9-17)18-13-6-2-5-12(16)8-13/h1-8,14,18H,9,17H2.
What are the key properties of N,1-bis(3-chlorophenyl)ethane-1,2-diamine?
N,1-bis(3-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(3-chlorophenyl)ethane-1,2-diamine is sourced from PubChem (CID 65383380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).