4-[2-(3-aminopropoxy)-4-fluorophenyl]-5-fluoropyridin-2-amine

C14H15F2N3O — CID 126751961

IUPAC4-[2-(3-aminopropoxy)-4-fluorophenyl]-5-fluoropyridin-2-amine
SMILESNCCCOc1cc(F)ccc1-c1cc(N)ncc1F
InChIInChI=1S/C14H15F2N3O/c15-9-2-3-10(13(6-9)20-5-1-4-17)11-7-14(18)19-8-12(11)16/h2-3,6-8H,1,4-5,17H2,(H2,18,19)
InChIKeyMDBJRYCIWJYPBN-UHFFFAOYSA-N
MW279.29 g/mol
LogP2.34
Rot. Bonds5

About 4-[2-(3-aminopropoxy)-4-fluorophenyl]-5-fluoropyridin-2-amine

4-[2-(3-aminopropoxy)-4-fluorophenyl]-5-fluoropyridin-2-amine (PubChem CID 126751961) has the molecular formula C14H15F2N3O and a molecular weight of 279.29 g/mol. Its IUPAC name is 4-[2-(3-aminopropoxy)-4-fluorophenyl]-5-fluoropyridin-2-amine.

Molecular Properties

Compound Name4-[2-(3-aminopropoxy)-4-fluorophenyl]-5-fluoropyridin-2-amine
PubChem CID126751961
Molecular FormulaC14H15F2N3O
Molecular Weight279.29 g/mol
Exact Mass279.12
IUPAC Name4-[2-(3-aminopropoxy)-4-fluorophenyl]-5-fluoropyridin-2-amine
SMILESNCCCOc1cc(F)ccc1-c1cc(N)ncc1F
InChIInChI=1S/C14H15F2N3O/c15-9-2-3-10(13(6-9)20-5-1-4-17)11-7-14(18)19-8-12(11)16/h2-3,6-8H,1,4-5,17H2,(H2,18,19)
InChIKeyMDBJRYCIWJYPBN-UHFFFAOYSA-N
XLogP2.34
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Amino-3-benzyloxypyridine
CID 90334
Thiourea, N-(5-bromo-2-pyridinyl)-N'-(2-(2-ethoxy-6-fluorophenyl)ethyl)-
CID 3001125
Thiourea, N-(5-bromo-2-pyridinyl)-N'-(2-(6-ethoxy-2,3-difluorophenyl)ethyl)-
CID 3001126
2-Pyridinamine, 4-(4-methoxyphenyl)-
CID 82397500
N-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]pyridin-2-amine
CID 9880373
US10155760, Example 12
CID 118420154
US10155760, Example 1
CID 118420330
N-(4-Methoxybenzyl)pyridin-2-amine
CID 97452
Thiourea, N-(2-(2-ethoxy-6-fluorophenyl)ethyl)-N'-(5-methyl-2-pyridinyl)-
CID 3001123
Benzaldehyde, 4-ethoxy-, 2-(2-pyridinyl)hydrazone
CID 5340073
3-{[3-(Trifluoromethyl)benzyl]oxy}-2-pyridinamine
CID 1485767
3-(Piperidin-4-yl)-2-(2-(trifluoromethyl)phenoxy)pyridine
CID 44133672

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-aminopropoxy)-4-fluorophenyl]-5-fluoropyridin-2-amine?
The IUPAC name of 4-[2-(3-aminopropoxy)-4-fluorophenyl]-5-fluoropyridin-2-amine (CID 126751961) is 4-[2-(3-aminopropoxy)-4-fluorophenyl]-5-fluoropyridin-2-amine.
What is the SMILES notation for 4-[2-(3-aminopropoxy)-4-fluorophenyl]-5-fluoropyridin-2-amine?
The canonical SMILES for 4-[2-(3-aminopropoxy)-4-fluorophenyl]-5-fluoropyridin-2-amine is NCCCOc1cc(F)ccc1-c1cc(N)ncc1F.
What is the InChIKey of 4-[2-(3-aminopropoxy)-4-fluorophenyl]-5-fluoropyridin-2-amine?
The InChIKey is MDBJRYCIWJYPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O/c15-9-2-3-10(13(6-9)20-5-1-4-17)11-7-14(18)19-8-12(11)16/h2-3,6-8H,1,4-5,17H2,(H2,18,19).
What are the key properties of 4-[2-(3-aminopropoxy)-4-fluorophenyl]-5-fluoropyridin-2-amine?
4-[2-(3-aminopropoxy)-4-fluorophenyl]-5-fluoropyridin-2-amine has a molecular weight of 279.29 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-aminopropoxy)-4-fluorophenyl]-5-fluoropyridin-2-amine is sourced from PubChem (CID 126751961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).