4-(2-aminoethyl)-N-(4-chlorophenyl)-2-fluoroaniline

C14H14ClFN2 — CID 82303958

IUPAC4-(2-aminoethyl)-N-(4-chlorophenyl)-2-fluoroaniline
SMILESNCCc1ccc(Nc2ccc(Cl)cc2)c(F)c1
InChIInChI=1S/C14H14ClFN2/c15-11-2-4-12(5-3-11)18-14-6-1-10(7-8-17)9-13(14)16/h1-6,9,18H,7-8,17H2
InChIKeyCXSXJLAATJVNSA-UHFFFAOYSA-N
MW264.73 g/mol
LogP3.72
Rot. Bonds4

About 4-(2-aminoethyl)-N-(4-chlorophenyl)-2-fluoroaniline

4-(2-aminoethyl)-N-(4-chlorophenyl)-2-fluoroaniline (PubChem CID 82303958) has the molecular formula C14H14ClFN2 and a molecular weight of 264.73 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-(4-chlorophenyl)-2-fluoroaniline.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-(4-chlorophenyl)-2-fluoroaniline
PubChem CID82303958
Molecular FormulaC14H14ClFN2
Molecular Weight264.73 g/mol
Exact Mass264.08
IUPAC Name4-(2-aminoethyl)-N-(4-chlorophenyl)-2-fluoroaniline
SMILESNCCc1ccc(Nc2ccc(Cl)cc2)c(F)c1
InChIInChI=1S/C14H14ClFN2/c15-11-2-4-12(5-3-11)18-14-6-1-10(7-8-17)9-13(14)16/h1-6,9,18H,7-8,17H2
InChIKeyCXSXJLAATJVNSA-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

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Related Compounds

4-(2-aminoethyl)-2-fluoro-N-phenylaniline
CID 82288843
1-N-(4-chlorophenyl)-2-fluorobenzene-1,4-diamine
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4-(aminomethyl)-N-(4-chloro-2-methylphenyl)-2-fluoroaniline
CID 82303954
4-(aminomethyl)-2-fluoro-N-(4-methoxyphenyl)aniline
CID 82295213
2-(3,4-difluorophenyl)ethanamine;hydrochloride
CID 66523804
4-(aminomethyl)-N-(2-chlorophenyl)-2-fluoroaniline
CID 82297676
4-(aminomethyl)-N-(4-chlorophenyl)aniline
CID 117027371
CID 147437402
CID 147437402
N-(4-chlorophenyl)-2,3,4-trifluoroaniline
CID 82536911
2-[4-(3-chloroanilino)-3-fluorophenyl]acetic acid
CID 95483501
4-N-(2,4-difluorophenyl)benzene-1,4-diamine
CID 4764057
N-(4-chlorophenyl)-2,5-difluoroaniline
CID 82536926

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-(4-chlorophenyl)-2-fluoroaniline?
The IUPAC name of 4-(2-aminoethyl)-N-(4-chlorophenyl)-2-fluoroaniline (CID 82303958) is 4-(2-aminoethyl)-N-(4-chlorophenyl)-2-fluoroaniline.
What is the SMILES notation for 4-(2-aminoethyl)-N-(4-chlorophenyl)-2-fluoroaniline?
The canonical SMILES for 4-(2-aminoethyl)-N-(4-chlorophenyl)-2-fluoroaniline is NCCc1ccc(Nc2ccc(Cl)cc2)c(F)c1.
What is the InChIKey of 4-(2-aminoethyl)-N-(4-chlorophenyl)-2-fluoroaniline?
The InChIKey is CXSXJLAATJVNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2/c15-11-2-4-12(5-3-11)18-14-6-1-10(7-8-17)9-13(14)16/h1-6,9,18H,7-8,17H2.
What are the key properties of 4-(2-aminoethyl)-N-(4-chlorophenyl)-2-fluoroaniline?
4-(2-aminoethyl)-N-(4-chlorophenyl)-2-fluoroaniline 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 4-(2-aminoethyl)-N-(4-chlorophenyl)-2-fluoroaniline is sourced from PubChem (CID 82303958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).