1-(3-fluoro-4-methoxyphenyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine

C15H16F2N2O — CID 115940834

IUPAC1-(3-fluoro-4-methoxyphenyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine
SMILESCCC(N)(c1ccc(OC)c(F)c1)c1ccc(F)cn1
InChIInChI=1S/C15H16F2N2O/c1-3-15(18,14-7-5-11(16)9-19-14)10-4-6-13(20-2)12(17)8-10/h4-9H,3,18H2,1-2H3
InChIKeyNBQZRHDHNSGZKV-UHFFFAOYSA-N
MW278.30 g/mol
LogP2.98
Rot. Bonds4

About 1-(3-fluoro-4-methoxyphenyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine

1-(3-fluoro-4-methoxyphenyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine (PubChem CID 115940834) has the molecular formula C15H16F2N2O and a molecular weight of 278.30 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine
PubChem CID115940834
Molecular FormulaC15H16F2N2O
Molecular Weight278.30 g/mol
Exact Mass278.12
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine
SMILESCCC(N)(c1ccc(OC)c(F)c1)c1ccc(F)cn1
InChIInChI=1S/C15H16F2N2O/c1-3-15(18,14-7-5-11(16)9-19-14)10-4-6-13(20-2)12(17)8-10/h4-9H,3,18H2,1-2H3
InChIKeyNBQZRHDHNSGZKV-UHFFFAOYSA-N
XLogP2.98
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-fluoro-2-pyridinyl)-1-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 115940849
1-(5-fluoro-2-pyridinyl)-1-thiophen-3-ylpropan-1-amine
CID 112586080
1-(2-ethoxyphenyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 115940781
2-(5-fluoro-2-pyridinyl)-1-(2-methoxy-5-methylphenyl)butan-2-amine
CID 115940798
1-(5-fluoro-2-pyridinyl)-1-(4-methoxyphenyl)ethanamine
CID 83124560
2-(3-fluoro-4-methoxyphenyl)-1-phenylbutan-2-amine
CID 79008004
1-(4-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanamine
CID 83124710
2-(3-fluoro-4-methoxyphenyl)-1-(4-methoxyphenyl)propan-2-amine
CID 63273344
3-(5-fluoro-2-pyridinyl)pent-1-en-3-amine
CID 130655519
5-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]pyridin-2-amine
CID 83308187
1-(2-fluoro-4-methoxyphenyl)-1-(5-fluoro-2-pyridinyl)ethanamine
CID 103395231
2-(5-tert-butyl-2-methoxyphenyl)-5-fluoropyridine
CID 90122592

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine (CID 115940834) is 1-(3-fluoro-4-methoxyphenyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine is CCC(N)(c1ccc(OC)c(F)c1)c1ccc(F)cn1.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine?
The InChIKey is NBQZRHDHNSGZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O/c1-3-15(18,14-7-5-11(16)9-19-14)10-4-6-13(20-2)12(17)8-10/h4-9H,3,18H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine?
1-(3-fluoro-4-methoxyphenyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine has a molecular weight of 278.30 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine is sourced from PubChem (CID 115940834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).