2-[(1R)-1-aminoethyl]-N-(4-fluorophenyl)-N-methylaniline

C15H17FN2 — CID 78935395

IUPAC2-[(1R)-1-aminoethyl]-N-(4-fluorophenyl)-N-methylaniline
SMILESC[C@@H](N)c1ccccc1N(C)c1ccc(F)cc1
InChIInChI=1S/C15H17FN2/c1-11(17)14-5-3-4-6-15(14)18(2)13-9-7-12(16)8-10-13/h3-11H,17H2,1-2H3/t11-/m1/s1
InChIKeyDPZFCWXSKSFUFJ-LLVKDONJSA-N
MW244.31 g/mol
LogP3.61
Rot. Bonds3

About 2-[(1R)-1-aminoethyl]-N-(4-fluorophenyl)-N-methylaniline

2-[(1R)-1-aminoethyl]-N-(4-fluorophenyl)-N-methylaniline (PubChem CID 78935395) has the molecular formula C15H17FN2 and a molecular weight of 244.31 g/mol. Its IUPAC name is 2-[(1R)-1-aminoethyl]-N-(4-fluorophenyl)-N-methylaniline.

Molecular Properties

Compound Name2-[(1R)-1-aminoethyl]-N-(4-fluorophenyl)-N-methylaniline
PubChem CID78935395
Molecular FormulaC15H17FN2
Molecular Weight244.31 g/mol
Exact Mass244.14
IUPAC Name2-[(1R)-1-aminoethyl]-N-(4-fluorophenyl)-N-methylaniline
SMILESC[C@@H](N)c1ccccc1N(C)c1ccc(F)cc1
InChIInChI=1S/C15H17FN2/c1-11(17)14-5-3-4-6-15(14)18(2)13-9-7-12(16)8-10-13/h3-11H,17H2,1-2H3/t11-/m1/s1
InChIKeyDPZFCWXSKSFUFJ-LLVKDONJSA-N
XLogP3.61
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1R)-1-aminoethyl]-4-fluoro-N-(4-fluorophenyl)-N-methylaniline
CID 78935127
2-[(1R)-1-aminoethyl]-4-fluoro-N-(4-methoxyphenyl)-N-methylaniline
CID 63368936
N-[4-[(1S)-1-aminoethyl]phenyl]-2-fluoro-N-methylaniline
CID 63368954
2-[1-(ethylamino)propyl]-N-(4-fluorophenyl)-N-methylaniline
CID 115995117
4-[2-[(1S)-1-aminoethyl]-4-fluoro-N-methylanilino]benzonitrile
CID 78935603
4-[(1R)-1-aminoethyl]-2-fluoro-N-(4-fluorophenyl)-N-methylaniline
CID 63368969
2-(1-aminoethyl)-5-(2-fluoro-N-methylanilino)phenol
CID 79603983
4-fluoro-N-methyl-N-phenylaniline
CID 54288754
4-(1-aminoethyl)-2-chloro-N-(4-fluorophenyl)-N-methylaniline
CID 55131699
N-[2-[(1S)-1-aminoethyl]phenyl]-N-methylcycloheptanamine
CID 55190297
2-(1-aminopropyl)-N-(3-fluorophenyl)-N-methylaniline
CID 112678084
(1R)-1-[2-(3-fluoro-N-methylanilino)phenyl]ethanol
CID 55184502

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-aminoethyl]-N-(4-fluorophenyl)-N-methylaniline?
The IUPAC name of 2-[(1R)-1-aminoethyl]-N-(4-fluorophenyl)-N-methylaniline (CID 78935395) is 2-[(1R)-1-aminoethyl]-N-(4-fluorophenyl)-N-methylaniline.
What is the SMILES notation for 2-[(1R)-1-aminoethyl]-N-(4-fluorophenyl)-N-methylaniline?
The canonical SMILES for 2-[(1R)-1-aminoethyl]-N-(4-fluorophenyl)-N-methylaniline is C[C@@H](N)c1ccccc1N(C)c1ccc(F)cc1.
What is the InChIKey of 2-[(1R)-1-aminoethyl]-N-(4-fluorophenyl)-N-methylaniline?
The InChIKey is DPZFCWXSKSFUFJ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H17FN2/c1-11(17)14-5-3-4-6-15(14)18(2)13-9-7-12(16)8-10-13/h3-11H,17H2,1-2H3/t11-/m1/s1.
What are the key properties of 2-[(1R)-1-aminoethyl]-N-(4-fluorophenyl)-N-methylaniline?
2-[(1R)-1-aminoethyl]-N-(4-fluorophenyl)-N-methylaniline has a molecular weight of 244.31 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-aminoethyl]-N-(4-fluorophenyl)-N-methylaniline is sourced from PubChem (CID 78935395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).