2-fluoro-2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]propan-1-amine

C16H18F2N2O — CID 144795672

IUPAC2-fluoro-2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]propan-1-amine
SMILESCOc1ccc(C(C)(F)CN)nc1-c1ccc(F)c(C)c1
InChIInChI=1S/C16H18F2N2O/c1-10-8-11(4-5-12(10)17)15-13(21-3)6-7-14(20-15)16(2,18)9-19/h4-8H,9,19H2,1-3H3
InChIKeyHFNMQMBOIKMFDJ-UHFFFAOYSA-N
MW292.33 g/mol
LogP3.35
Rot. Bonds4

About 2-fluoro-2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]propan-1-amine

2-fluoro-2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]propan-1-amine (PubChem CID 144795672) has the molecular formula C16H18F2N2O and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-fluoro-2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]propan-1-amine.

Molecular Properties

Compound Name2-fluoro-2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]propan-1-amine
PubChem CID144795672
Molecular FormulaC16H18F2N2O
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name2-fluoro-2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]propan-1-amine
SMILESCOc1ccc(C(C)(F)CN)nc1-c1ccc(F)c(C)c1
InChIInChI=1S/C16H18F2N2O/c1-10-8-11(4-5-12(10)17)15-13(21-3)6-7-14(20-15)16(2,18)9-19/h4-8H,9,19H2,1-3H3
InChIKeyHFNMQMBOIKMFDJ-UHFFFAOYSA-N
XLogP3.35
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Pilavapadin
CID 118419773
Aak1-IN-5
CID 118420559
US10155760, Example 125
CID 118429626
US10155760, Example 122
CID 118429629
2-(2-Fluorophenyl)-5-[(5-methoxy-3-pyridinyl)methyl]pyridine
CID 145981780
US10155760, Example 144
CID 118419975
US10155760, Example 119
CID 118429771
US10155760, Example 160
CID 118429429
US10155760, Example 148
CID 118429820
3-Benzyloxy-2-ethyl-6-methyl-pyridin-4-ylamine
CID 6603362
3-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-2-phenylpyridine
CID 44391710
N-((6-(4-fluoro-2-methoxyphenyl)pyridin-2-yl)methyl)cyclopentanamine
CID 54581904

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]propan-1-amine?
The IUPAC name of 2-fluoro-2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]propan-1-amine (CID 144795672) is 2-fluoro-2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]propan-1-amine.
What is the SMILES notation for 2-fluoro-2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]propan-1-amine?
The canonical SMILES for 2-fluoro-2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]propan-1-amine is COc1ccc(C(C)(F)CN)nc1-c1ccc(F)c(C)c1.
What is the InChIKey of 2-fluoro-2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]propan-1-amine?
The InChIKey is HFNMQMBOIKMFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2O/c1-10-8-11(4-5-12(10)17)15-13(21-3)6-7-14(20-15)16(2,18)9-19/h4-8H,9,19H2,1-3H3.
What are the key properties of 2-fluoro-2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]propan-1-amine?
2-fluoro-2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]propan-1-amine has a molecular weight of 292.33 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]propan-1-amine is sourced from PubChem (CID 144795672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).