4-[[(4-fluorophenyl)methyl-methylamino]methyl]-N-propylpyridin-2-amine

C17H22FN3 — CID 62464531

IUPAC4-[[(4-fluorophenyl)methyl-methylamino]methyl]-N-propylpyridin-2-amine
SMILESCCCNc1cc(CN(C)Cc2ccc(F)cc2)ccn1
InChIInChI=1S/C17H22FN3/c1-3-9-19-17-11-15(8-10-20-17)13-21(2)12-14-4-6-16(18)7-5-14/h4-8,10-11H,3,9,12-13H2,1-2H3,(H,19,20)
InChIKeyDGPZREPGKRFGKH-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.67
Rot. Bonds7

About 4-[[(4-fluorophenyl)methyl-methylamino]methyl]-N-propylpyridin-2-amine

4-[[(4-fluorophenyl)methyl-methylamino]methyl]-N-propylpyridin-2-amine (PubChem CID 62464531) has the molecular formula C17H22FN3 and a molecular weight of 287.38 g/mol. Its IUPAC name is 4-[[(4-fluorophenyl)methyl-methylamino]methyl]-N-propylpyridin-2-amine.

Molecular Properties

Compound Name4-[[(4-fluorophenyl)methyl-methylamino]methyl]-N-propylpyridin-2-amine
PubChem CID62464531
Molecular FormulaC17H22FN3
Molecular Weight287.38 g/mol
Exact Mass287.18
IUPAC Name4-[[(4-fluorophenyl)methyl-methylamino]methyl]-N-propylpyridin-2-amine
SMILESCCCNc1cc(CN(C)Cc2ccc(F)cc2)ccn1
InChIInChI=1S/C17H22FN3/c1-3-9-19-17-11-15(8-10-20-17)13-21(2)12-14-4-6-16(18)7-5-14/h4-8,10-11H,3,9,12-13H2,1-2H3,(H,19,20)
InChIKeyDGPZREPGKRFGKH-UHFFFAOYSA-N
XLogP3.67
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[ethyl(methyl)amino]methyl]-N-propylpyridin-2-amine
CID 62472407
4-[[methyl(2-methylbutyl)amino]methyl]-N-propylpyridin-2-amine
CID 62469698
4-[[methyl(3-methylbutyl)amino]methyl]-N-propylpyridin-2-amine
CID 62465932
4-(diethylaminomethyl)-N-propylpyridin-2-amine
CID 62472000
4-[[benzyl(methyl)amino]methyl]-N-ethylpyridin-2-amine
CID 55075738
N-ethyl-2-[methyl-[[2-(propylamino)-4-pyridinyl]methyl]amino]acetamide
CID 62465711
4-N-[(4-fluorophenyl)methyl]-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80794598
N,2-dimethyl-3-[methyl-[[2-(propylamino)-4-pyridinyl]methyl]amino]propanamide
CID 106917955
4-[(3,5-difluorophenoxy)methyl]-N-propylpyridin-2-amine
CID 62786008
4-[[ethyl(2-methylpropyl)amino]methyl]-N-propylpyridin-2-amine
CID 62470960
4-[[cyclopropyl(ethyl)amino]methyl]-N-propylpyridin-2-amine
CID 55075457
4-[(4-methoxy-N-methylanilino)methyl]-N-propylpyridin-2-amine
CID 62464640

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-fluorophenyl)methyl-methylamino]methyl]-N-propylpyridin-2-amine?
The IUPAC name of 4-[[(4-fluorophenyl)methyl-methylamino]methyl]-N-propylpyridin-2-amine (CID 62464531) is 4-[[(4-fluorophenyl)methyl-methylamino]methyl]-N-propylpyridin-2-amine.
What is the SMILES notation for 4-[[(4-fluorophenyl)methyl-methylamino]methyl]-N-propylpyridin-2-amine?
The canonical SMILES for 4-[[(4-fluorophenyl)methyl-methylamino]methyl]-N-propylpyridin-2-amine is CCCNc1cc(CN(C)Cc2ccc(F)cc2)ccn1.
What is the InChIKey of 4-[[(4-fluorophenyl)methyl-methylamino]methyl]-N-propylpyridin-2-amine?
The InChIKey is DGPZREPGKRFGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3/c1-3-9-19-17-11-15(8-10-20-17)13-21(2)12-14-4-6-16(18)7-5-14/h4-8,10-11H,3,9,12-13H2,1-2H3,(H,19,20).
What are the key properties of 4-[[(4-fluorophenyl)methyl-methylamino]methyl]-N-propylpyridin-2-amine?
4-[[(4-fluorophenyl)methyl-methylamino]methyl]-N-propylpyridin-2-amine has a molecular weight of 287.38 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-fluorophenyl)methyl-methylamino]methyl]-N-propylpyridin-2-amine is sourced from PubChem (CID 62464531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).