N-[[3-(3-fluoro-4-methylphenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine

C17H21FN2O — CID 107170646

IUPACN-[[3-(3-fluoro-4-methylphenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCc1ccc(Oc2cnccc2CNCC(C)C)cc1F
InChIInChI=1S/C17H21FN2O/c1-12(2)9-20-10-14-6-7-19-11-17(14)21-15-5-4-13(3)16(18)8-15/h4-8,11-12,20H,9-10H2,1-3H3
InChIKeyIMJYFXHKBZWWJB-UHFFFAOYSA-N
MW288.37 g/mol
LogP4.07
Rot. Bonds6

About N-[[3-(3-fluoro-4-methylphenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine

N-[[3-(3-fluoro-4-methylphenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine (PubChem CID 107170646) has the molecular formula C17H21FN2O and a molecular weight of 288.37 g/mol. Its IUPAC name is N-[[3-(3-fluoro-4-methylphenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-(3-fluoro-4-methylphenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
PubChem CID107170646
Molecular FormulaC17H21FN2O
Molecular Weight288.37 g/mol
Exact Mass288.16
IUPAC NameN-[[3-(3-fluoro-4-methylphenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCc1ccc(Oc2cnccc2CNCC(C)C)cc1F
InChIInChI=1S/C17H21FN2O/c1-12(2)9-20-10-14-6-7-19-11-17(14)21-15-5-4-13(3)16(18)8-15/h4-8,11-12,20H,9-10H2,1-3H3
InChIKeyIMJYFXHKBZWWJB-UHFFFAOYSA-N
XLogP4.07
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(3-chlorophenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105075399
N-[[3-(3-bromophenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105075392
N-[[3-(5-bromo-2-methylphenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 107285678
N-[[3-(4-fluoro-3-methylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 105075869
N-[[3-(4-bromo-2-fluorophenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105075484
N-[[4-(4-bromo-3-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 83138141
N-[[3-(3,4-dimethylphenoxy)-4-pyridinyl]methyl]propan-1-amine
CID 105075308
1-[4-(3-fluoro-4-methylphenoxy)-3-pyridinyl]-N-methylmethanamine
CID 107170649
2-methyl-N-[(2-methyl-4-pyridin-3-yloxyphenyl)methyl]propan-1-amine
CID 63072149
N-[[5-(3-fluoro-4-methylphenoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 107170637
N-[[2-(3-fluoro-4-methylphenoxy)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine
CID 107170711
2-methyl-N-[[3-(2,2,3,3-tetrafluoropropoxy)-4-pyridinyl]methyl]propan-1-amine
CID 105075000

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-fluoro-4-methylphenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[3-(3-fluoro-4-methylphenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine (CID 107170646) is N-[[3-(3-fluoro-4-methylphenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[3-(3-fluoro-4-methylphenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[3-(3-fluoro-4-methylphenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine is Cc1ccc(Oc2cnccc2CNCC(C)C)cc1F.
What is the InChIKey of N-[[3-(3-fluoro-4-methylphenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine?
The InChIKey is IMJYFXHKBZWWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O/c1-12(2)9-20-10-14-6-7-19-11-17(14)21-15-5-4-13(3)16(18)8-15/h4-8,11-12,20H,9-10H2,1-3H3.
What are the key properties of N-[[3-(3-fluoro-4-methylphenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine?
N-[[3-(3-fluoro-4-methylphenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine has a molecular weight of 288.37 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-fluoro-4-methylphenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 107170646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).