4-(1-aminoethyl)-2-chloro-N-(4-fluorophenyl)-N-methylaniline

C15H16ClFN2 — CID 55131699

IUPAC4-(1-aminoethyl)-2-chloro-N-(4-fluorophenyl)-N-methylaniline
SMILESCC(N)c1ccc(N(C)c2ccc(F)cc2)c(Cl)c1
InChIInChI=1S/C15H16ClFN2/c1-10(18)11-3-8-15(14(16)9-11)19(2)13-6-4-12(17)5-7-13/h3-10H,18H2,1-2H3
InChIKeyQZHCHIPEVKZVEN-UHFFFAOYSA-N
MW278.76 g/mol
LogP4.27
Rot. Bonds3

About 4-(1-aminoethyl)-2-chloro-N-(4-fluorophenyl)-N-methylaniline

4-(1-aminoethyl)-2-chloro-N-(4-fluorophenyl)-N-methylaniline (PubChem CID 55131699) has the molecular formula C15H16ClFN2 and a molecular weight of 278.76 g/mol. Its IUPAC name is 4-(1-aminoethyl)-2-chloro-N-(4-fluorophenyl)-N-methylaniline.

Molecular Properties

Compound Name4-(1-aminoethyl)-2-chloro-N-(4-fluorophenyl)-N-methylaniline
PubChem CID55131699
Molecular FormulaC15H16ClFN2
Molecular Weight278.76 g/mol
Exact Mass278.10
IUPAC Name4-(1-aminoethyl)-2-chloro-N-(4-fluorophenyl)-N-methylaniline
SMILESCC(N)c1ccc(N(C)c2ccc(F)cc2)c(Cl)c1
InChIInChI=1S/C15H16ClFN2/c1-10(18)11-3-8-15(14(16)9-11)19(2)13-6-4-12(17)5-7-13/h3-10H,18H2,1-2H3
InChIKeyQZHCHIPEVKZVEN-UHFFFAOYSA-N
XLogP4.27
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.76
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1R)-1-aminoethyl]-2-fluoro-N-(4-fluorophenyl)-N-methylaniline
CID 63368969
4-(1-aminoethyl)-2-chloro-N-(4-ethylphenyl)-N-methylaniline
CID 63532852
4-[(1S)-1-aminoethyl]-2-chloro-N-ethyl-N-(4-fluorophenyl)aniline
CID 78935511
4-[(1R)-1-aminoethyl]-2-chloro-N-[(4-fluorophenyl)methyl]-N-methylaniline
CID 63369536
2-[(1R)-1-aminoethyl]-4-fluoro-N-(4-fluorophenyl)-N-methylaniline
CID 78935127
4-(aminomethyl)-2-chloro-N-(4-fluorophenyl)-N-methylaniline
CID 78924390
4-[(1S)-1-aminoethyl]-2-chloro-N-methyl-N-(2-methylphenyl)aniline
CID 55190487
4-[(1R)-1-aminoethyl]-2-chloro-N-methyl-N-(4-methylpentan-2-yl)aniline
CID 78935650
1-[3-chloro-4-(3-fluoro-N-methylanilino)phenyl]ethanol
CID 55130733
(1R)-1-[3-chloro-4-(3-fluoro-N-methylanilino)phenyl]ethanol
CID 78940935
4-[4-(1-aminoethyl)-2-fluoro-N-methylanilino]benzonitrile
CID 62970389
N'-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 78948201

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-2-chloro-N-(4-fluorophenyl)-N-methylaniline?
The IUPAC name of 4-(1-aminoethyl)-2-chloro-N-(4-fluorophenyl)-N-methylaniline (CID 55131699) is 4-(1-aminoethyl)-2-chloro-N-(4-fluorophenyl)-N-methylaniline.
What is the SMILES notation for 4-(1-aminoethyl)-2-chloro-N-(4-fluorophenyl)-N-methylaniline?
The canonical SMILES for 4-(1-aminoethyl)-2-chloro-N-(4-fluorophenyl)-N-methylaniline is CC(N)c1ccc(N(C)c2ccc(F)cc2)c(Cl)c1.
What is the InChIKey of 4-(1-aminoethyl)-2-chloro-N-(4-fluorophenyl)-N-methylaniline?
The InChIKey is QZHCHIPEVKZVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2/c1-10(18)11-3-8-15(14(16)9-11)19(2)13-6-4-12(17)5-7-13/h3-10H,18H2,1-2H3.
What are the key properties of 4-(1-aminoethyl)-2-chloro-N-(4-fluorophenyl)-N-methylaniline?
4-(1-aminoethyl)-2-chloro-N-(4-fluorophenyl)-N-methylaniline has a molecular weight of 278.76 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-2-chloro-N-(4-fluorophenyl)-N-methylaniline is sourced from PubChem (CID 55131699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).