N,N-diethyl-3-fluoro-4-[(propan-2-ylamino)methyl]pyridin-2-amine

C13H22FN3 — CID 105388745

IUPACN,N-diethyl-3-fluoro-4-[(propan-2-ylamino)methyl]pyridin-2-amine
SMILESCCN(CC)c1nccc(CNC(C)C)c1F
InChIInChI=1S/C13H22FN3/c1-5-17(6-2)13-12(14)11(7-8-15-13)9-16-10(3)4/h7-8,10,16H,5-6,9H2,1-4H3
InChIKeyKMSHMFNUHWLWLN-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.56
Rot. Bonds6

About N,N-diethyl-3-fluoro-4-[(propan-2-ylamino)methyl]pyridin-2-amine

N,N-diethyl-3-fluoro-4-[(propan-2-ylamino)methyl]pyridin-2-amine (PubChem CID 105388745) has the molecular formula C13H22FN3 and a molecular weight of 239.34 g/mol. Its IUPAC name is N,N-diethyl-3-fluoro-4-[(propan-2-ylamino)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN,N-diethyl-3-fluoro-4-[(propan-2-ylamino)methyl]pyridin-2-amine
PubChem CID105388745
Molecular FormulaC13H22FN3
Molecular Weight239.34 g/mol
Exact Mass239.18
IUPAC NameN,N-diethyl-3-fluoro-4-[(propan-2-ylamino)methyl]pyridin-2-amine
SMILESCCN(CC)c1nccc(CNC(C)C)c1F
InChIInChI=1S/C13H22FN3/c1-5-17(6-2)13-12(14)11(7-8-15-13)9-16-10(3)4/h7-8,10,16H,5-6,9H2,1-4H3
InChIKeyKMSHMFNUHWLWLN-UHFFFAOYSA-N
XLogP2.56
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-ethoxy-3-fluoro-4-pyridinyl)methyl]propan-2-amine
CID 105390794
4-[(tert-butylamino)methyl]-N-ethyl-3-fluoro-N-propylpyridin-2-amine
CID 105384745
3-fluoro-N-methyl-N-(2-methylprop-2-enyl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 105390409
3-fluoro-N-methyl-N-(oxan-4-yl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 105389180
N-cyclopropyl-3-fluoro-N-(3-methylbutyl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 105389656
N-[(3-fluoro-2-heptoxy-4-pyridinyl)methyl]propan-2-amine
CID 105390901
3-[[3-fluoro-4-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
CID 105391234
N-benzyl-N-ethyl-4-(ethylaminomethyl)-3-fluoropyridin-2-amine
CID 105388950
N-[[3-fluoro-2-(4-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 105391187
N,N-bis(cyclopropylmethyl)-4-(ethylaminomethyl)-3-fluoropyridin-2-amine
CID 105389989
N-ethyl-3-fluoro-N-(furan-2-ylmethyl)-4-(methylaminomethyl)pyridin-2-amine
CID 105389589
N-ethyl-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62280566

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-fluoro-4-[(propan-2-ylamino)methyl]pyridin-2-amine?
The IUPAC name of N,N-diethyl-3-fluoro-4-[(propan-2-ylamino)methyl]pyridin-2-amine (CID 105388745) is N,N-diethyl-3-fluoro-4-[(propan-2-ylamino)methyl]pyridin-2-amine.
What is the SMILES notation for N,N-diethyl-3-fluoro-4-[(propan-2-ylamino)methyl]pyridin-2-amine?
The canonical SMILES for N,N-diethyl-3-fluoro-4-[(propan-2-ylamino)methyl]pyridin-2-amine is CCN(CC)c1nccc(CNC(C)C)c1F.
What is the InChIKey of N,N-diethyl-3-fluoro-4-[(propan-2-ylamino)methyl]pyridin-2-amine?
The InChIKey is KMSHMFNUHWLWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22FN3/c1-5-17(6-2)13-12(14)11(7-8-15-13)9-16-10(3)4/h7-8,10,16H,5-6,9H2,1-4H3.
What are the key properties of N,N-diethyl-3-fluoro-4-[(propan-2-ylamino)methyl]pyridin-2-amine?
N,N-diethyl-3-fluoro-4-[(propan-2-ylamino)methyl]pyridin-2-amine has a molecular weight of 239.34 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-fluoro-4-[(propan-2-ylamino)methyl]pyridin-2-amine is sourced from PubChem (CID 105388745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).