N-[4-[(1S)-1-aminoethyl]phenyl]-2-fluoro-N-methylaniline

C15H17FN2 — CID 63368954

IUPACN-[4-[(1S)-1-aminoethyl]phenyl]-2-fluoro-N-methylaniline
SMILESC[C@H](N)c1ccc(N(C)c2ccccc2F)cc1
InChIInChI=1S/C15H17FN2/c1-11(17)12-7-9-13(10-8-12)18(2)15-6-4-3-5-14(15)16/h3-11H,17H2,1-2H3/t11-/m0/s1
InChIKeyIUQFGGVGHPGMSQ-NSHDSACASA-N
MW244.31 g/mol
LogP3.61
Rot. Bonds3

About N-[4-[(1S)-1-aminoethyl]phenyl]-2-fluoro-N-methylaniline

N-[4-[(1S)-1-aminoethyl]phenyl]-2-fluoro-N-methylaniline (PubChem CID 63368954) has the molecular formula C15H17FN2 and a molecular weight of 244.31 g/mol. Its IUPAC name is N-[4-[(1S)-1-aminoethyl]phenyl]-2-fluoro-N-methylaniline.

Molecular Properties

Compound NameN-[4-[(1S)-1-aminoethyl]phenyl]-2-fluoro-N-methylaniline
PubChem CID63368954
Molecular FormulaC15H17FN2
Molecular Weight244.31 g/mol
Exact Mass244.14
IUPAC NameN-[4-[(1S)-1-aminoethyl]phenyl]-2-fluoro-N-methylaniline
SMILESC[C@H](N)c1ccc(N(C)c2ccccc2F)cc1
InChIInChI=1S/C15H17FN2/c1-11(17)12-7-9-13(10-8-12)18(2)15-6-4-3-5-14(15)16/h3-11H,17H2,1-2H3/t11-/m0/s1
InChIKeyIUQFGGVGHPGMSQ-NSHDSACASA-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

4-[(1R)-1-aminoethyl]-2-fluoro-N-(4-fluorophenyl)-N-methylaniline
CID 63368969
2-(1-aminoethyl)-5-(2-fluoro-N-methylanilino)phenol
CID 79603983
2-[(1R)-1-aminoethyl]-N-(4-fluorophenyl)-N-methylaniline
CID 78935395
4-[4-(1-aminoethyl)-2-fluoro-N-methylanilino]benzonitrile
CID 62970389
4-(1-aminoethyl)-N,N-dimethylaniline
CID 14341956
4-[(1R)-1-aminoethyl]-N,N-dimethylaniline
CID 14341957
4-[2-(1-aminoethyl)-3-fluoro-N-methylanilino]benzonitrile
CID 62970392
4-(1-aminoethyl)-2-chloro-N-(4-fluorophenyl)-N-methylaniline
CID 55131699
N-[4-[(1R)-1-aminoethyl]phenyl]-N,2,4-trimethylaniline
CID 55190482
3-[(1S)-1-aminoethyl]-N-(2-fluorophenyl)-N-methylpyridin-2-amine
CID 114056087
(1R)-1-[2-fluoro-6-(2-fluoro-N-methylanilino)phenyl]ethanol
CID 78940926
(1S)-1-[2-fluoro-6-(2-fluoro-N-methylanilino)phenyl]ethanol
CID 55184318

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1S)-1-aminoethyl]phenyl]-2-fluoro-N-methylaniline?
The IUPAC name of N-[4-[(1S)-1-aminoethyl]phenyl]-2-fluoro-N-methylaniline (CID 63368954) is N-[4-[(1S)-1-aminoethyl]phenyl]-2-fluoro-N-methylaniline.
What is the SMILES notation for N-[4-[(1S)-1-aminoethyl]phenyl]-2-fluoro-N-methylaniline?
The canonical SMILES for N-[4-[(1S)-1-aminoethyl]phenyl]-2-fluoro-N-methylaniline is C[C@H](N)c1ccc(N(C)c2ccccc2F)cc1.
What is the InChIKey of N-[4-[(1S)-1-aminoethyl]phenyl]-2-fluoro-N-methylaniline?
The InChIKey is IUQFGGVGHPGMSQ-NSHDSACASA-N. The full InChI is InChI=1S/C15H17FN2/c1-11(17)12-7-9-13(10-8-12)18(2)15-6-4-3-5-14(15)16/h3-11H,17H2,1-2H3/t11-/m0/s1.
What are the key properties of N-[4-[(1S)-1-aminoethyl]phenyl]-2-fluoro-N-methylaniline?
N-[4-[(1S)-1-aminoethyl]phenyl]-2-fluoro-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 N-[4-[(1S)-1-aminoethyl]phenyl]-2-fluoro-N-methylaniline is sourced from PubChem (CID 63368954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).