N-(3-fluorophenyl)-N-methyl-4-[(2-methylpropylamino)methyl]pyridin-2-amine

C17H22FN3 — CID 62292926

IUPACN-(3-fluorophenyl)-N-methyl-4-[(2-methylpropylamino)methyl]pyridin-2-amine
SMILESCC(C)CNCc1ccnc(N(C)c2cccc(F)c2)c1
InChIInChI=1S/C17H22FN3/c1-13(2)11-19-12-14-7-8-20-17(9-14)21(3)16-6-4-5-15(18)10-16/h4-10,13,19H,11-12H2,1-3H3
InChIKeyRMBMDOYJCWQMEY-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.73
Rot. Bonds6

About N-(3-fluorophenyl)-N-methyl-4-[(2-methylpropylamino)methyl]pyridin-2-amine

N-(3-fluorophenyl)-N-methyl-4-[(2-methylpropylamino)methyl]pyridin-2-amine (PubChem CID 62292926) has the molecular formula C17H22FN3 and a molecular weight of 287.38 g/mol. Its IUPAC name is N-(3-fluorophenyl)-N-methyl-4-[(2-methylpropylamino)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-N-methyl-4-[(2-methylpropylamino)methyl]pyridin-2-amine
PubChem CID62292926
Molecular FormulaC17H22FN3
Molecular Weight287.38 g/mol
Exact Mass287.18
IUPAC NameN-(3-fluorophenyl)-N-methyl-4-[(2-methylpropylamino)methyl]pyridin-2-amine
SMILESCC(C)CNCc1ccnc(N(C)c2cccc(F)c2)c1
InChIInChI=1S/C17H22FN3/c1-13(2)11-19-12-14-7-8-20-17(9-14)21(3)16-6-4-5-15(18)10-16/h4-10,13,19H,11-12H2,1-3H3
InChIKeyRMBMDOYJCWQMEY-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-4-[(2-methylpropylamino)methyl]-N-phenylpyridin-2-amine
CID 62286623
N-(3-fluorophenyl)-N-methyl-4-(methylaminomethyl)pyridin-2-amine
CID 62295394
N-(3-fluorophenyl)-N-methyl-5-[(2-methylpropylamino)methyl]pyrazin-2-amine
CID 107379672
N-(3-fluorophenyl)-N-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62294691
N-cyclopentyl-N-methyl-4-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62280559
N-methyl-4-[(2-methylpropylamino)methyl]-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 62282252
N-(3-fluorophenyl)-N,4-dimethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 62767216
N,N,N'-trimethyl-N'-[4-[(2-methylpropylamino)methyl]-2-pyridinyl]propane-1,3-diamine
CID 63699684
N-(3-fluorophenyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106971234
N-ethyl-N-(2-methoxyethyl)-4-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62294097
4-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 62284039
N-methyl-4-[(2-methylpropylamino)methyl]-N-(1-thiophen-2-ylethyl)pyridin-2-amine
CID 62281991

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-N-methyl-4-[(2-methylpropylamino)methyl]pyridin-2-amine?
The IUPAC name of N-(3-fluorophenyl)-N-methyl-4-[(2-methylpropylamino)methyl]pyridin-2-amine (CID 62292926) is N-(3-fluorophenyl)-N-methyl-4-[(2-methylpropylamino)methyl]pyridin-2-amine.
What is the SMILES notation for N-(3-fluorophenyl)-N-methyl-4-[(2-methylpropylamino)methyl]pyridin-2-amine?
The canonical SMILES for N-(3-fluorophenyl)-N-methyl-4-[(2-methylpropylamino)methyl]pyridin-2-amine is CC(C)CNCc1ccnc(N(C)c2cccc(F)c2)c1.
What is the InChIKey of N-(3-fluorophenyl)-N-methyl-4-[(2-methylpropylamino)methyl]pyridin-2-amine?
The InChIKey is RMBMDOYJCWQMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3/c1-13(2)11-19-12-14-7-8-20-17(9-14)21(3)16-6-4-5-15(18)10-16/h4-10,13,19H,11-12H2,1-3H3.
What are the key properties of N-(3-fluorophenyl)-N-methyl-4-[(2-methylpropylamino)methyl]pyridin-2-amine?
N-(3-fluorophenyl)-N-methyl-4-[(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-4-[(2-methylpropylamino)methyl]pyridin-2-amine is sourced from PubChem (CID 62292926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).