3-[(1S)-1-aminoethyl]-N-(2-fluorophenyl)-N-methylpyridin-2-amine

C14H16FN3 — CID 114056087

IUPAC3-[(1S)-1-aminoethyl]-N-(2-fluorophenyl)-N-methylpyridin-2-amine
SMILESC[C@H](N)c1cccnc1N(C)c1ccccc1F
InChIInChI=1S/C14H16FN3/c1-10(16)11-6-5-9-17-14(11)18(2)13-8-4-3-7-12(13)15/h3-10H,16H2,1-2H3/t10-/m0/s1
InChIKeySNMFELBYPUBJKQ-JTQLQIEISA-N
MW245.30 g/mol
LogP3.01
Rot. Bonds3

About 3-[(1S)-1-aminoethyl]-N-(2-fluorophenyl)-N-methylpyridin-2-amine

3-[(1S)-1-aminoethyl]-N-(2-fluorophenyl)-N-methylpyridin-2-amine (PubChem CID 114056087) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is 3-[(1S)-1-aminoethyl]-N-(2-fluorophenyl)-N-methylpyridin-2-amine.

Molecular Properties

Compound Name3-[(1S)-1-aminoethyl]-N-(2-fluorophenyl)-N-methylpyridin-2-amine
PubChem CID114056087
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC Name3-[(1S)-1-aminoethyl]-N-(2-fluorophenyl)-N-methylpyridin-2-amine
SMILESC[C@H](N)c1cccnc1N(C)c1ccccc1F
InChIInChI=1S/C14H16FN3/c1-10(16)11-6-5-9-17-14(11)18(2)13-8-4-3-7-12(13)15/h3-10H,16H2,1-2H3/t10-/m0/s1
InChIKeySNMFELBYPUBJKQ-JTQLQIEISA-N
XLogP3.01
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[2-(2-fluoro-N-methylanilino)-3-pyridinyl]ethanol
CID 114056037
N-[4-[(1S)-1-aminoethyl]phenyl]-2-fluoro-N-methylaniline
CID 63368954
2-(1-aminoethyl)-5-(2-fluoro-N-methylanilino)phenol
CID 79603983
3-(1-aminoethyl)-N-ethyl-N-phenylpyridin-2-amine
CID 114055773
(1S)-1-(2-fluorophenyl)ethanamine;hydrochloride
CID 45072320
4-(chloromethyl)-3-fluoro-N-(2-fluorophenyl)-N-methylpyridin-2-amine
CID 105383580
1-(3-fluoro-2-pyridinyl)-1-methylhydrazine
CID 53402758
2-[(1R)-1-aminoethyl]-N-(4-fluorophenyl)-N-methylaniline
CID 78935395
3-[(1R)-1-aminoethyl]-N-methyl-N-(1-thiophen-2-ylethyl)pyridin-2-amine
CID 114055989
(1S)-1-(3-fluoro-2-pyridinyl)ethanamine;hydrochloride
CID 53487490
2-N-(2-fluorophenyl)-2-N,4-dimethylpyridine-2,5-diamine
CID 79176501
2-N-(3-fluoro-2-pyridinyl)-2-N-methylpropane-1,2-diamine
CID 83828629

Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-aminoethyl]-N-(2-fluorophenyl)-N-methylpyridin-2-amine?
The IUPAC name of 3-[(1S)-1-aminoethyl]-N-(2-fluorophenyl)-N-methylpyridin-2-amine (CID 114056087) is 3-[(1S)-1-aminoethyl]-N-(2-fluorophenyl)-N-methylpyridin-2-amine.
What is the SMILES notation for 3-[(1S)-1-aminoethyl]-N-(2-fluorophenyl)-N-methylpyridin-2-amine?
The canonical SMILES for 3-[(1S)-1-aminoethyl]-N-(2-fluorophenyl)-N-methylpyridin-2-amine is C[C@H](N)c1cccnc1N(C)c1ccccc1F.
What is the InChIKey of 3-[(1S)-1-aminoethyl]-N-(2-fluorophenyl)-N-methylpyridin-2-amine?
The InChIKey is SNMFELBYPUBJKQ-JTQLQIEISA-N. The full InChI is InChI=1S/C14H16FN3/c1-10(16)11-6-5-9-17-14(11)18(2)13-8-4-3-7-12(13)15/h3-10H,16H2,1-2H3/t10-/m0/s1.
What are the key properties of 3-[(1S)-1-aminoethyl]-N-(2-fluorophenyl)-N-methylpyridin-2-amine?
3-[(1S)-1-aminoethyl]-N-(2-fluorophenyl)-N-methylpyridin-2-amine has a molecular weight of 245.30 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-aminoethyl]-N-(2-fluorophenyl)-N-methylpyridin-2-amine is sourced from PubChem (CID 114056087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).