2-(2-aminopropyl)-4-chloro-N-ethyl-N-(4-fluorophenyl)aniline

C17H20ClFN2 — CID 114861142

IUPAC2-(2-aminopropyl)-4-chloro-N-ethyl-N-(4-fluorophenyl)aniline
SMILESCCN(c1ccc(F)cc1)c1ccc(Cl)cc1CC(C)N
InChIInChI=1S/C17H20ClFN2/c1-3-21(16-7-5-15(19)6-8-16)17-9-4-14(18)11-13(17)10-12(2)20/h4-9,11-12H,3,10,20H2,1-2H3
InChIKeyKNWZGMFEUFTNJZ-UHFFFAOYSA-N
MW306.81 g/mol
LogP4.53
Rot. Bonds5

About 2-(2-aminopropyl)-4-chloro-N-ethyl-N-(4-fluorophenyl)aniline

2-(2-aminopropyl)-4-chloro-N-ethyl-N-(4-fluorophenyl)aniline (PubChem CID 114861142) has the molecular formula C17H20ClFN2 and a molecular weight of 306.81 g/mol. Its IUPAC name is 2-(2-aminopropyl)-4-chloro-N-ethyl-N-(4-fluorophenyl)aniline.

Molecular Properties

Compound Name2-(2-aminopropyl)-4-chloro-N-ethyl-N-(4-fluorophenyl)aniline
PubChem CID114861142
Molecular FormulaC17H20ClFN2
Molecular Weight306.81 g/mol
Exact Mass306.13
IUPAC Name2-(2-aminopropyl)-4-chloro-N-ethyl-N-(4-fluorophenyl)aniline
SMILESCCN(c1ccc(F)cc1)c1ccc(Cl)cc1CC(C)N
InChIInChI=1S/C17H20ClFN2/c1-3-21(16-7-5-15(19)6-8-16)17-9-4-14(18)11-13(17)10-12(2)20/h4-9,11-12H,3,10,20H2,1-2H3
InChIKeyKNWZGMFEUFTNJZ-UHFFFAOYSA-N
XLogP4.53
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.81
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-aminopropyl)-N-ethyl-4-fluoro-N-(2-fluorophenyl)aniline
CID 63816503
2-(2-aminopropyl)-5-chloro-N-(4-fluorophenyl)-N-methylaniline
CID 114861214
2-(2-aminopropyl)-4-chloro-N-[(4-fluorophenyl)methyl]-N-methylaniline
CID 114861654
2-(2-aminopropyl)-N-ethyl-4-fluoro-N-(2-methylphenyl)aniline
CID 63786090
4-[(1S)-1-aminoethyl]-2-chloro-N-ethyl-N-(4-fluorophenyl)aniline
CID 78935511
2-(2-aminobutyl)-N-ethyl-4-fluoro-N-phenylaniline
CID 63787438
2-(2-aminopropyl)-4-fluoro-N-propan-2-yl-N-propylaniline
CID 63785632
2-(2-aminopropyl)-N-ethyl-N-(4-methylphenyl)aniline
CID 63816327
2-(2-aminopropyl)-4-chloro-N-cyclopentyl-N-ethylaniline
CID 114860609
[5-chloro-2-(N-ethyl-4-methylanilino)phenyl]methanol
CID 114845519
2-(aminomethyl)-N-ethyl-N-(4-fluorophenyl)-4-methylaniline
CID 107926166
2-(2-aminoethyl)-4-chloro-N-ethyl-N-phenylaniline
CID 114860392

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropyl)-4-chloro-N-ethyl-N-(4-fluorophenyl)aniline?
The IUPAC name of 2-(2-aminopropyl)-4-chloro-N-ethyl-N-(4-fluorophenyl)aniline (CID 114861142) is 2-(2-aminopropyl)-4-chloro-N-ethyl-N-(4-fluorophenyl)aniline.
What is the SMILES notation for 2-(2-aminopropyl)-4-chloro-N-ethyl-N-(4-fluorophenyl)aniline?
The canonical SMILES for 2-(2-aminopropyl)-4-chloro-N-ethyl-N-(4-fluorophenyl)aniline is CCN(c1ccc(F)cc1)c1ccc(Cl)cc1CC(C)N.
What is the InChIKey of 2-(2-aminopropyl)-4-chloro-N-ethyl-N-(4-fluorophenyl)aniline?
The InChIKey is KNWZGMFEUFTNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClFN2/c1-3-21(16-7-5-15(19)6-8-16)17-9-4-14(18)11-13(17)10-12(2)20/h4-9,11-12H,3,10,20H2,1-2H3.
What are the key properties of 2-(2-aminopropyl)-4-chloro-N-ethyl-N-(4-fluorophenyl)aniline?
2-(2-aminopropyl)-4-chloro-N-ethyl-N-(4-fluorophenyl)aniline has a molecular weight of 306.81 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropyl)-4-chloro-N-ethyl-N-(4-fluorophenyl)aniline is sourced from PubChem (CID 114861142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).