6-[(1S)-1-aminoethyl]-N-[(4-fluorophenyl)methyl]-N-methylpyridin-3-amine

C15H18FN3 — CID 83122237

IUPAC6-[(1S)-1-aminoethyl]-N-[(4-fluorophenyl)methyl]-N-methylpyridin-3-amine
SMILESC[C@H](N)c1ccc(N(C)Cc2ccc(F)cc2)cn1
InChIInChI=1S/C15H18FN3/c1-11(17)15-8-7-14(9-18-15)19(2)10-12-3-5-13(16)6-4-12/h3-9,11H,10,17H2,1-2H3/t11-/m0/s1
InChIKeyMQSKMJXUUPMSMR-NSHDSACASA-N
MW259.33 g/mol
LogP2.88
Rot. Bonds4

About 6-[(1S)-1-aminoethyl]-N-[(4-fluorophenyl)methyl]-N-methylpyridin-3-amine

6-[(1S)-1-aminoethyl]-N-[(4-fluorophenyl)methyl]-N-methylpyridin-3-amine (PubChem CID 83122237) has the molecular formula C15H18FN3 and a molecular weight of 259.33 g/mol. Its IUPAC name is 6-[(1S)-1-aminoethyl]-N-[(4-fluorophenyl)methyl]-N-methylpyridin-3-amine.

Molecular Properties

Compound Name6-[(1S)-1-aminoethyl]-N-[(4-fluorophenyl)methyl]-N-methylpyridin-3-amine
PubChem CID83122237
Molecular FormulaC15H18FN3
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC Name6-[(1S)-1-aminoethyl]-N-[(4-fluorophenyl)methyl]-N-methylpyridin-3-amine
SMILESC[C@H](N)c1ccc(N(C)Cc2ccc(F)cc2)cn1
InChIInChI=1S/C15H18FN3/c1-11(17)15-8-7-14(9-18-15)19(2)10-12-3-5-13(16)6-4-12/h3-9,11H,10,17H2,1-2H3/t11-/m0/s1
InChIKeyMQSKMJXUUPMSMR-NSHDSACASA-N
XLogP2.88
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[5-[(4-fluorophenyl)methyl-methylamino]-2-pyridinyl]ethanol
CID 83131523
6-(1-aminoethyl)-N-methyl-N-(pyridin-4-ylmethyl)pyridin-3-amine
CID 83121898
6-[(1R)-1-aminoethyl]-N-methyl-N-[(3-methylphenyl)methyl]pyridin-3-amine
CID 83122827
6-(1-aminoethyl)-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-3-amine
CID 83122822
(1S)-1-[5-[methyl-[(4-methylphenyl)methyl]amino]-2-pyridinyl]ethanol
CID 83132028
6-(1-aminoethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridin-3-amine
CID 83123075
6-(1-aminoethyl)-N-methyl-N-(3-methylbutyl)pyridin-3-amine
CID 83122832
6-[(1R)-1-aminoethyl]-N,N-dimethylpyridin-3-amine
CID 83122052
6-[(1S)-1-aminoethyl]-N-methyl-N-(2-methylbutyl)pyridin-3-amine
CID 83123142
6-[(1S)-1-aminoethyl]-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-3-amine
CID 83127064
6-[(1R)-1-aminoethyl]-N-methyl-N-(2-methylprop-2-enyl)pyridin-3-amine
CID 104868613
(1S)-1-[5-[(4-methoxyphenyl)methyl-methylamino]-2-pyridinyl]ethanol
CID 83131957

Frequently Asked Questions

What is the IUPAC name of 6-[(1S)-1-aminoethyl]-N-[(4-fluorophenyl)methyl]-N-methylpyridin-3-amine?
The IUPAC name of 6-[(1S)-1-aminoethyl]-N-[(4-fluorophenyl)methyl]-N-methylpyridin-3-amine (CID 83122237) is 6-[(1S)-1-aminoethyl]-N-[(4-fluorophenyl)methyl]-N-methylpyridin-3-amine.
What is the SMILES notation for 6-[(1S)-1-aminoethyl]-N-[(4-fluorophenyl)methyl]-N-methylpyridin-3-amine?
The canonical SMILES for 6-[(1S)-1-aminoethyl]-N-[(4-fluorophenyl)methyl]-N-methylpyridin-3-amine is C[C@H](N)c1ccc(N(C)Cc2ccc(F)cc2)cn1.
What is the InChIKey of 6-[(1S)-1-aminoethyl]-N-[(4-fluorophenyl)methyl]-N-methylpyridin-3-amine?
The InChIKey is MQSKMJXUUPMSMR-NSHDSACASA-N. The full InChI is InChI=1S/C15H18FN3/c1-11(17)15-8-7-14(9-18-15)19(2)10-12-3-5-13(16)6-4-12/h3-9,11H,10,17H2,1-2H3/t11-/m0/s1.
What are the key properties of 6-[(1S)-1-aminoethyl]-N-[(4-fluorophenyl)methyl]-N-methylpyridin-3-amine?
6-[(1S)-1-aminoethyl]-N-[(4-fluorophenyl)methyl]-N-methylpyridin-3-amine has a molecular weight of 259.33 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1S)-1-aminoethyl]-N-[(4-fluorophenyl)methyl]-N-methylpyridin-3-amine is sourced from PubChem (CID 83122237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).