N-(4-fluorophenyl)-N-methyl-2-[(propan-2-ylamino)methyl]pyridin-4-amine

C16H20FN3 — CID 62293187

IUPACN-(4-fluorophenyl)-N-methyl-2-[(propan-2-ylamino)methyl]pyridin-4-amine
SMILESCC(C)NCc1cc(N(C)c2ccc(F)cc2)ccn1
InChIInChI=1S/C16H20FN3/c1-12(2)19-11-14-10-16(8-9-18-14)20(3)15-6-4-13(17)5-7-15/h4-10,12,19H,11H2,1-3H3
InChIKeyCHQXFDKXAZUJNJ-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.49
Rot. Bonds5

About N-(4-fluorophenyl)-N-methyl-2-[(propan-2-ylamino)methyl]pyridin-4-amine

N-(4-fluorophenyl)-N-methyl-2-[(propan-2-ylamino)methyl]pyridin-4-amine (PubChem CID 62293187) has the molecular formula C16H20FN3 and a molecular weight of 273.36 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-methyl-2-[(propan-2-ylamino)methyl]pyridin-4-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-methyl-2-[(propan-2-ylamino)methyl]pyridin-4-amine
PubChem CID62293187
Molecular FormulaC16H20FN3
Molecular Weight273.36 g/mol
Exact Mass273.16
IUPAC NameN-(4-fluorophenyl)-N-methyl-2-[(propan-2-ylamino)methyl]pyridin-4-amine
SMILESCC(C)NCc1cc(N(C)c2ccc(F)cc2)ccn1
InChIInChI=1S/C16H20FN3/c1-12(2)19-11-14-10-16(8-9-18-14)20(3)15-6-4-13(17)5-7-15/h4-10,12,19H,11H2,1-3H3
InChIKeyCHQXFDKXAZUJNJ-UHFFFAOYSA-N
XLogP3.49
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 62287084
N-methyl-N-[(4-methylphenyl)methyl]-2-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 62280879
N-methyl-2-[(2-methylpropylamino)methyl]-N-phenylpyridin-4-amine
CID 62284741
N-[(4-bromophenyl)methyl]-N-methyl-2-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 62287320
N-ethyl-N-(2-methylprop-2-enyl)-2-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 62279471
N-methyl-N-[(2-methylcyclopropyl)methyl]-2-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 63865437
N-(4-fluorophenyl)-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine
CID 105073352
3-chloro-N-(4-fluorophenyl)-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62295297
N-methyl-2-[(propan-2-ylamino)methyl]-N-(pyridin-3-ylmethyl)pyridin-4-amine
CID 62282233
N-methyl-N-(oxan-4-ylmethyl)-2-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 63707826
N-methyl-N-(oxolan-3-yl)-2-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 82754235
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 62282160

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-methyl-2-[(propan-2-ylamino)methyl]pyridin-4-amine?
The IUPAC name of N-(4-fluorophenyl)-N-methyl-2-[(propan-2-ylamino)methyl]pyridin-4-amine (CID 62293187) is N-(4-fluorophenyl)-N-methyl-2-[(propan-2-ylamino)methyl]pyridin-4-amine.
What is the SMILES notation for N-(4-fluorophenyl)-N-methyl-2-[(propan-2-ylamino)methyl]pyridin-4-amine?
The canonical SMILES for N-(4-fluorophenyl)-N-methyl-2-[(propan-2-ylamino)methyl]pyridin-4-amine is CC(C)NCc1cc(N(C)c2ccc(F)cc2)ccn1.
What is the InChIKey of N-(4-fluorophenyl)-N-methyl-2-[(propan-2-ylamino)methyl]pyridin-4-amine?
The InChIKey is CHQXFDKXAZUJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3/c1-12(2)19-11-14-10-16(8-9-18-14)20(3)15-6-4-13(17)5-7-15/h4-10,12,19H,11H2,1-3H3.
What are the key properties of N-(4-fluorophenyl)-N-methyl-2-[(propan-2-ylamino)methyl]pyridin-4-amine?
N-(4-fluorophenyl)-N-methyl-2-[(propan-2-ylamino)methyl]pyridin-4-amine has a molecular weight of 273.36 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N-methyl-2-[(propan-2-ylamino)methyl]pyridin-4-amine is sourced from PubChem (CID 62293187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).