4-fluoro-N-methyl-N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]aniline

C17H22FN3 — CID 106906209

IUPAC4-fluoro-N-methyl-N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]aniline
SMILESCC(C)NCc1cccc(CN(C)c2ccc(F)cc2)n1
InChIInChI=1S/C17H22FN3/c1-13(2)19-11-15-5-4-6-16(20-15)12-21(3)17-9-7-14(18)8-10-17/h4-10,13,19H,11-12H2,1-3H3
InChIKeyOHZFFGHUMYIDTQ-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.36
Rot. Bonds6

About 4-fluoro-N-methyl-N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]aniline

4-fluoro-N-methyl-N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]aniline (PubChem CID 106906209) has the molecular formula C17H22FN3 and a molecular weight of 287.38 g/mol. Its IUPAC name is 4-fluoro-N-methyl-N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]aniline.

Molecular Properties

Compound Name4-fluoro-N-methyl-N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]aniline
PubChem CID106906209
Molecular FormulaC17H22FN3
Molecular Weight287.38 g/mol
Exact Mass287.18
IUPAC Name4-fluoro-N-methyl-N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]aniline
SMILESCC(C)NCc1cccc(CN(C)c2ccc(F)cc2)n1
InChIInChI=1S/C17H22FN3/c1-13(2)19-11-15-5-4-6-16(20-15)12-21(3)17-9-7-14(18)8-10-17/h4-10,13,19H,11-12H2,1-3H3
InChIKeyOHZFFGHUMYIDTQ-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)methyl]-N-methyl-6-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62287465
N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]propan-2-amine;dihydrobromide
CID 11545437
N,2-dimethyl-N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]butan-1-amine
CID 106905796
N-[[6-[[methyl(oxan-4-ylmethyl)amino]methyl]-2-pyridinyl]methyl]propan-2-amine
CID 106906639
4-methoxy-N-methyl-N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]aniline
CID 106906232
N-methyl-1-methylsulfanyl-N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]butan-2-amine
CID 106907072
N,1-dimethyl-N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]piperidin-4-amine
CID 106905586
N-[[6-[[methyl(oxan-2-ylmethyl)amino]methyl]-2-pyridinyl]methyl]propan-2-amine
CID 106906089
N-(4-fluorophenyl)-N-methyl-2-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 62293187
N-[[6-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-pyridinyl]methyl]ethanamine
CID 106905328
N-[[6-[(2,3-difluorophenoxy)methyl]-2-pyridinyl]methyl]propan-2-amine
CID 106908318
N-[[6-[(2-chloro-4-fluorophenoxy)methyl]-2-pyridinyl]methyl]propan-2-amine
CID 106907860

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]aniline?
The IUPAC name of 4-fluoro-N-methyl-N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]aniline (CID 106906209) is 4-fluoro-N-methyl-N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]aniline.
What is the SMILES notation for 4-fluoro-N-methyl-N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]aniline?
The canonical SMILES for 4-fluoro-N-methyl-N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]aniline is CC(C)NCc1cccc(CN(C)c2ccc(F)cc2)n1.
What is the InChIKey of 4-fluoro-N-methyl-N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]aniline?
The InChIKey is OHZFFGHUMYIDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3/c1-13(2)19-11-15-5-4-6-16(20-15)12-21(3)17-9-7-14(18)8-10-17/h4-10,13,19H,11-12H2,1-3H3.
What are the key properties of 4-fluoro-N-methyl-N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]aniline?
4-fluoro-N-methyl-N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]aniline has a molecular weight of 287.38 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]aniline is sourced from PubChem (CID 106906209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).