2-chloro-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,4-diamine

C14H14ClFN2 — CID 28903455

IUPAC2-chloro-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,4-diamine
SMILESNc1ccc(NCCc2ccccc2F)c(Cl)c1
InChIInChI=1S/C14H14ClFN2/c15-12-9-11(17)5-6-14(12)18-8-7-10-3-1-2-4-13(10)16/h1-6,9,18H,7-8,17H2
InChIKeyZGTPEVMROLJRMQ-UHFFFAOYSA-N
MW264.73 g/mol
LogP3.72
Rot. Bonds4

About 2-chloro-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,4-diamine

2-chloro-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,4-diamine (PubChem CID 28903455) has the molecular formula C14H14ClFN2 and a molecular weight of 264.73 g/mol. Its IUPAC name is 2-chloro-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,4-diamine.

Molecular Properties

Compound Name2-chloro-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,4-diamine
PubChem CID28903455
Molecular FormulaC14H14ClFN2
Molecular Weight264.73 g/mol
Exact Mass264.08
IUPAC Name2-chloro-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,4-diamine
SMILESNc1ccc(NCCc2ccccc2F)c(Cl)c1
InChIInChI=1S/C14H14ClFN2/c15-12-9-11(17)5-6-14(12)18-8-7-10-3-1-2-4-13(10)16/h1-6,9,18H,7-8,17H2
InChIKeyZGTPEVMROLJRMQ-UHFFFAOYSA-N
XLogP3.72
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.73
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-amino-2-chlorophenyl)-3-[2-(2-fluorophenyl)ethyl]urea
CID 108900021
2-chloro-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,4-diamine
CID 106259764
5-amino-2-[2-(2-fluorophenyl)ethylamino]benzamide
CID 61307952
2-chloro-4-N-[2-(2-fluorophenyl)ethyl]-5-methylbenzene-1,4-diamine
CID 115554439
4-N-[2-(2-fluorophenyl)ethyl]quinoline-4,7-diamine
CID 103000150
1-N-[2-(2-fluorophenyl)ethyl]-3-methylbenzene-1,2-diamine
CID 114041150
2-chloro-1-N-(3-phenylpropyl)benzene-1,4-diamine
CID 54944572
2-chloro-6-[2-(2-fluorophenyl)ethylamino]benzenecarbothioamide
CID 62501596
2-chloro-1-N-propylbenzene-1,4-diamine
CID 28902196
2,4-dichloro-N-(2-naphthalen-1-ylethyl)aniline
CID 54795871
6-chloro-4-N-[2-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 31537803
5-N-(2,4-dichlorophenyl)-3-N-[2-(2-fluorophenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112953615

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,4-diamine?
The IUPAC name of 2-chloro-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,4-diamine (CID 28903455) is 2-chloro-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,4-diamine.
What is the SMILES notation for 2-chloro-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,4-diamine?
The canonical SMILES for 2-chloro-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,4-diamine is Nc1ccc(NCCc2ccccc2F)c(Cl)c1.
What is the InChIKey of 2-chloro-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,4-diamine?
The InChIKey is ZGTPEVMROLJRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2/c15-12-9-11(17)5-6-14(12)18-8-7-10-3-1-2-4-13(10)16/h1-6,9,18H,7-8,17H2.
What are the key properties of 2-chloro-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,4-diamine?
2-chloro-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,4-diamine has a molecular weight of 264.73 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,4-diamine is sourced from PubChem (CID 28903455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).