N-(3-fluorophenyl)-N-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine

C17H22FN3 — CID 62294691

IUPACN-(3-fluorophenyl)-N-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine
SMILESCC(C)CNCc1cccnc1N(C)c1cccc(F)c1
InChIInChI=1S/C17H22FN3/c1-13(2)11-19-12-14-6-5-9-20-17(14)21(3)16-8-4-7-15(18)10-16/h4-10,13,19H,11-12H2,1-3H3
InChIKeyLKUNEVFWAHFLCU-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.73
Rot. Bonds6

About N-(3-fluorophenyl)-N-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine

N-(3-fluorophenyl)-N-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine (PubChem CID 62294691) has the molecular formula C17H22FN3 and a molecular weight of 287.38 g/mol. Its IUPAC name is N-(3-fluorophenyl)-N-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-N-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine
PubChem CID62294691
Molecular FormulaC17H22FN3
Molecular Weight287.38 g/mol
Exact Mass287.18
IUPAC NameN-(3-fluorophenyl)-N-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine
SMILESCC(C)CNCc1cccnc1N(C)c1cccc(F)c1
InChIInChI=1S/C17H22FN3/c1-13(2)11-19-12-14-6-5-9-20-17(14)21(3)16-8-4-7-15(18)10-16/h4-10,13,19H,11-12H2,1-3H3
InChIKeyLKUNEVFWAHFLCU-UHFFFAOYSA-N
XLogP3.73
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(4-methylphenyl)-3-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62282701
N-(3-fluorophenyl)-N-methyl-4-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62292926
N-(3-fluorophenyl)-N-methyl-5-[(2-methylpropylamino)methyl]pyrazin-2-amine
CID 107379672
N-butan-2-yl-N-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62281070
1-[methyl-[3-[(2-methylpropylamino)methyl]-2-pyridinyl]amino]propan-2-ol
CID 114056940
3-[(2-methylpropylamino)methyl]-N,N-dipropylpyridin-2-amine
CID 62285279
3-fluoro-N-(3-fluorophenyl)-N-methyl-4-(methylaminomethyl)pyridin-2-amine
CID 105389511
N-(3-fluorophenyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106971234
N-(3-fluorophenyl)-N,4-dimethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 62767216
3-[(tert-butylamino)methyl]-N-methyl-N-(3-methylphenyl)pyridin-2-amine
CID 62294058
[3-fluoro-2-(3-fluoro-N-methylanilino)-4-pyridinyl]methanol
CID 105383032
N-(3-fluorophenyl)-N-methyl-5-(methylaminomethyl)pyrimidin-4-amine
CID 114216152

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-N-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine?
The IUPAC name of N-(3-fluorophenyl)-N-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine (CID 62294691) is N-(3-fluorophenyl)-N-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine.
What is the SMILES notation for N-(3-fluorophenyl)-N-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine?
The canonical SMILES for N-(3-fluorophenyl)-N-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine is CC(C)CNCc1cccnc1N(C)c1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-N-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine?
The InChIKey is LKUNEVFWAHFLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3/c1-13(2)11-19-12-14-6-5-9-20-17(14)21(3)16-8-4-7-15(18)10-16/h4-10,13,19H,11-12H2,1-3H3.
What are the key properties of N-(3-fluorophenyl)-N-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine?
N-(3-fluorophenyl)-N-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine has a molecular weight of 287.38 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-N-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine is sourced from PubChem (CID 62294691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).