N'-(3-chlorophenyl)-N-(4-fluorophenyl)ethane-1,2-diamine

C14H14ClFN2 — CID 54806317

IUPACN'-(3-chlorophenyl)-N-(4-fluorophenyl)ethane-1,2-diamine
SMILESFc1ccc(NCCNc2cccc(Cl)c2)cc1
InChIInChI=1S/C14H14ClFN2/c15-11-2-1-3-14(10-11)18-9-8-17-13-6-4-12(16)5-7-13/h1-7,10,17-18H,8-9H2
InChIKeyPCNNSFCIUVYNJK-UHFFFAOYSA-N
MW264.73 g/mol
LogP4.00
Rot. Bonds5

About N'-(3-chlorophenyl)-N-(4-fluorophenyl)ethane-1,2-diamine

N'-(3-chlorophenyl)-N-(4-fluorophenyl)ethane-1,2-diamine (PubChem CID 54806317) has the molecular formula C14H14ClFN2 and a molecular weight of 264.73 g/mol. Its IUPAC name is N'-(3-chlorophenyl)-N-(4-fluorophenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3-chlorophenyl)-N-(4-fluorophenyl)ethane-1,2-diamine
PubChem CID54806317
Molecular FormulaC14H14ClFN2
Molecular Weight264.73 g/mol
Exact Mass264.08
IUPAC NameN'-(3-chlorophenyl)-N-(4-fluorophenyl)ethane-1,2-diamine
SMILESFc1ccc(NCCNc2cccc(Cl)c2)cc1
InChIInChI=1S/C14H14ClFN2/c15-11-2-1-3-14(10-11)18-9-8-17-13-6-4-12(16)5-7-13/h1-7,10,17-18H,8-9H2
InChIKeyPCNNSFCIUVYNJK-UHFFFAOYSA-N
XLogP4.00
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.73
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis(3-chlorophenyl)ethane-1,2-diamine
CID 14274750
N-[2-(3-chlorophenyl)sulfanylethyl]-4-fluoroaniline
CID 63517607
N'-(3-chlorophenyl)ethane-1,2-diamine
CID 11008376
N-(4-fluorophenyl)-N'-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 54806053
N'-(3-chlorophenyl)-N-cyclopropylethane-1,2-diamine
CID 62559395
3-chloro-N-(2-methylsulfanylethyl)aniline
CID 62581736
N'-(3-chlorophenyl)-N-(4-hexoxyphenyl)ethane-1,2-diamine
CID 54806277
N-(4-fluorophenyl)-N'-(3-propoxyphenyl)ethane-1,2-diamine
CID 54805927
3-chloro-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]aniline
CID 62597642
3-chloro-N-[2-(3,4-difluorophenoxy)ethyl]aniline
CID 62597196
4-(3-chloroanilino)butanamide
CID 67066977
3-chloro-N-[2-(3-methylphenyl)ethyl]aniline
CID 68835949

Frequently Asked Questions

What is the IUPAC name of N'-(3-chlorophenyl)-N-(4-fluorophenyl)ethane-1,2-diamine?
The IUPAC name of N'-(3-chlorophenyl)-N-(4-fluorophenyl)ethane-1,2-diamine (CID 54806317) is N'-(3-chlorophenyl)-N-(4-fluorophenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(3-chlorophenyl)-N-(4-fluorophenyl)ethane-1,2-diamine?
The canonical SMILES for N'-(3-chlorophenyl)-N-(4-fluorophenyl)ethane-1,2-diamine is Fc1ccc(NCCNc2cccc(Cl)c2)cc1.
What is the InChIKey of N'-(3-chlorophenyl)-N-(4-fluorophenyl)ethane-1,2-diamine?
The InChIKey is PCNNSFCIUVYNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2/c15-11-2-1-3-14(10-11)18-9-8-17-13-6-4-12(16)5-7-13/h1-7,10,17-18H,8-9H2.
What are the key properties of N'-(3-chlorophenyl)-N-(4-fluorophenyl)ethane-1,2-diamine?
N'-(3-chlorophenyl)-N-(4-fluorophenyl)ethane-1,2-diamine has a molecular weight of 264.73 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chlorophenyl)-N-(4-fluorophenyl)ethane-1,2-diamine is sourced from PubChem (CID 54806317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).