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

C17H22FN3 — CID 105072825

IUPACN-[(3-fluorophenyl)methyl]-N-methyl-4-(propylaminomethyl)pyridin-3-amine
SMILESCCCNCc1ccncc1N(C)Cc1cccc(F)c1
InChIInChI=1S/C17H22FN3/c1-3-8-19-11-15-7-9-20-12-17(15)21(2)13-14-5-4-6-16(18)10-14/h4-7,9-10,12,19H,3,8,11,13H2,1-2H3
InChIKeyQNZYKOBLFJBEKS-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.36
Rot. Bonds7

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

N-[(3-fluorophenyl)methyl]-N-methyl-4-(propylaminomethyl)pyridin-3-amine (PubChem CID 105072825) has the molecular formula C17H22FN3 and a molecular weight of 287.38 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-N-methyl-4-(propylaminomethyl)pyridin-3-amine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-N-methyl-4-(propylaminomethyl)pyridin-3-amine
PubChem CID105072825
Molecular FormulaC17H22FN3
Molecular Weight287.38 g/mol
Exact Mass287.18
IUPAC NameN-[(3-fluorophenyl)methyl]-N-methyl-4-(propylaminomethyl)pyridin-3-amine
SMILESCCCNCc1ccncc1N(C)Cc1cccc(F)c1
InChIInChI=1S/C17H22FN3/c1-3-8-19-11-15-7-9-20-12-17(15)21(2)13-14-5-4-6-16(18)10-14/h4-7,9-10,12,19H,3,8,11,13H2,1-2H3
InChIKeyQNZYKOBLFJBEKS-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-[(3-methylphenyl)methyl]-3-(propylaminomethyl)pyridin-4-amine
CID 81253106
N-[(4-chlorophenyl)methyl]-N-methyl-4-(propylaminomethyl)pyridin-3-amine
CID 105073646
N-[(3-fluorophenyl)methyl]-N-methyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62751596
2-fluoro-N-methyl-4-(propylaminomethyl)-N-(pyridin-3-ylmethyl)aniline
CID 43563618
N-[(3-chlorophenyl)methyl]-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine
CID 105073225
N-[[5-[[(3-fluorophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]propan-1-amine
CID 62419238
N-methyl-3-(propylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-4-amine
CID 81249546
4-fluoro-N-methyl-2-(propylaminomethyl)-N-(pyridin-2-ylmethyl)aniline
CID 43565214
3-chloro-N-methyl-2-(propylaminomethyl)-N-(pyridin-3-ylmethyl)aniline
CID 43563633
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 62419099
3-(ethylaminomethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyridin-4-amine
CID 81246247
4-[(tert-butylamino)methyl]-N-methyl-N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 105073020

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-N-methyl-4-(propylaminomethyl)pyridin-3-amine?
The IUPAC name of N-[(3-fluorophenyl)methyl]-N-methyl-4-(propylaminomethyl)pyridin-3-amine (CID 105072825) is N-[(3-fluorophenyl)methyl]-N-methyl-4-(propylaminomethyl)pyridin-3-amine.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-N-methyl-4-(propylaminomethyl)pyridin-3-amine?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-N-methyl-4-(propylaminomethyl)pyridin-3-amine is CCCNCc1ccncc1N(C)Cc1cccc(F)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-N-methyl-4-(propylaminomethyl)pyridin-3-amine?
The InChIKey is QNZYKOBLFJBEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3/c1-3-8-19-11-15-7-9-20-12-17(15)21(2)13-14-5-4-6-16(18)10-14/h4-7,9-10,12,19H,3,8,11,13H2,1-2H3.
What are the key properties of N-[(3-fluorophenyl)methyl]-N-methyl-4-(propylaminomethyl)pyridin-3-amine?
N-[(3-fluorophenyl)methyl]-N-methyl-4-(propylaminomethyl)pyridin-3-amine has a molecular weight of 287.38 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-N-methyl-4-(propylaminomethyl)pyridin-3-amine is sourced from PubChem (CID 105072825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).