2-(2-aminopropyl)-5-chloro-N-(4-fluorophenyl)-N-methylaniline

C16H18ClFN2 — CID 114861214

IUPAC2-(2-aminopropyl)-5-chloro-N-(4-fluorophenyl)-N-methylaniline
SMILESCC(N)Cc1ccc(Cl)cc1N(C)c1ccc(F)cc1
InChIInChI=1S/C16H18ClFN2/c1-11(19)9-12-3-4-13(17)10-16(12)20(2)15-7-5-14(18)6-8-15/h3-8,10-11H,9,19H2,1-2H3
InChIKeyZHJGGDVVZKTFFU-UHFFFAOYSA-N
MW292.79 g/mol
LogP4.14
Rot. Bonds4

About 2-(2-aminopropyl)-5-chloro-N-(4-fluorophenyl)-N-methylaniline

2-(2-aminopropyl)-5-chloro-N-(4-fluorophenyl)-N-methylaniline (PubChem CID 114861214) has the molecular formula C16H18ClFN2 and a molecular weight of 292.79 g/mol. Its IUPAC name is 2-(2-aminopropyl)-5-chloro-N-(4-fluorophenyl)-N-methylaniline.

Molecular Properties

Compound Name2-(2-aminopropyl)-5-chloro-N-(4-fluorophenyl)-N-methylaniline
PubChem CID114861214
Molecular FormulaC16H18ClFN2
Molecular Weight292.79 g/mol
Exact Mass292.11
IUPAC Name2-(2-aminopropyl)-5-chloro-N-(4-fluorophenyl)-N-methylaniline
SMILESCC(N)Cc1ccc(Cl)cc1N(C)c1ccc(F)cc1
InChIInChI=1S/C16H18ClFN2/c1-11(19)9-12-3-4-13(17)10-16(12)20(2)15-7-5-14(18)6-8-15/h3-8,10-11H,9,19H2,1-2H3
InChIKeyZHJGGDVVZKTFFU-UHFFFAOYSA-N
XLogP4.14
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-aminopropyl)-N-(4-fluorophenyl)-N,3-dimethylaniline
CID 63816152
2-(2-aminopropyl)-4-chloro-N-ethyl-N-(4-fluorophenyl)aniline
CID 114861142
5-chloro-2-[(cyclopropylamino)methyl]-N-(4-fluorophenyl)-N-methylaniline
CID 114850424
2-(2-aminopropyl)-4-chloro-N-[(4-fluorophenyl)methyl]-N-methylaniline
CID 114861654
1-(2-chloro-4-fluorophenyl)propan-2-amine
CID 62600100
2-(2-aminopropyl)-5-chloro-N-methyl-N-(3-methylbutyl)aniline
CID 114861536
2-(2-aminopropyl)-5-chloro-N-(2,2-dimethylpropyl)-N-methylaniline
CID 114861429
2-(2-aminopropyl)-5-chlorophenol
CID 83697150
2-(2-aminobutyl)-5-bromo-N-(4-fluorophenyl)-N-methylaniline
CID 63815629
1-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]propan-2-amine
CID 62196739
4-(2-aminopropyl)-3-chloro-N,N-dimethylaniline;dihydrochloride
CID 3043609
2-(2-aminopropyl)-5-chloro-N-(4-ethylcyclohexyl)-N-methylaniline
CID 114861531

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropyl)-5-chloro-N-(4-fluorophenyl)-N-methylaniline?
The IUPAC name of 2-(2-aminopropyl)-5-chloro-N-(4-fluorophenyl)-N-methylaniline (CID 114861214) is 2-(2-aminopropyl)-5-chloro-N-(4-fluorophenyl)-N-methylaniline.
What is the SMILES notation for 2-(2-aminopropyl)-5-chloro-N-(4-fluorophenyl)-N-methylaniline?
The canonical SMILES for 2-(2-aminopropyl)-5-chloro-N-(4-fluorophenyl)-N-methylaniline is CC(N)Cc1ccc(Cl)cc1N(C)c1ccc(F)cc1.
What is the InChIKey of 2-(2-aminopropyl)-5-chloro-N-(4-fluorophenyl)-N-methylaniline?
The InChIKey is ZHJGGDVVZKTFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN2/c1-11(19)9-12-3-4-13(17)10-16(12)20(2)15-7-5-14(18)6-8-15/h3-8,10-11H,9,19H2,1-2H3.
What are the key properties of 2-(2-aminopropyl)-5-chloro-N-(4-fluorophenyl)-N-methylaniline?
2-(2-aminopropyl)-5-chloro-N-(4-fluorophenyl)-N-methylaniline has a molecular weight of 292.79 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropyl)-5-chloro-N-(4-fluorophenyl)-N-methylaniline is sourced from PubChem (CID 114861214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).