3-(difluoromethoxy)-N-(3-methoxypropyl)pyridin-2-amine

C10H14F2N2O2 — CID 75450414

IUPAC3-(difluoromethoxy)-N-(3-methoxypropyl)pyridin-2-amine
SMILESCOCCCNc1ncccc1OC(F)F
InChIInChI=1S/C10H14F2N2O2/c1-15-7-3-6-14-9-8(16-10(11)12)4-2-5-13-9/h2,4-5,10H,3,6-7H2,1H3,(H,13,14)
InChIKeyAFRIINCKGMQNQY-UHFFFAOYSA-N
MW232.23 g/mol
LogP2.13
Rot. Bonds7

About 3-(difluoromethoxy)-N-(3-methoxypropyl)pyridin-2-amine

3-(difluoromethoxy)-N-(3-methoxypropyl)pyridin-2-amine (PubChem CID 75450414) has the molecular formula C10H14F2N2O2 and a molecular weight of 232.23 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-(3-methoxypropyl)pyridin-2-amine.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-(3-methoxypropyl)pyridin-2-amine
PubChem CID75450414
Molecular FormulaC10H14F2N2O2
Molecular Weight232.23 g/mol
Exact Mass232.10
IUPAC Name3-(difluoromethoxy)-N-(3-methoxypropyl)pyridin-2-amine
SMILESCOCCCNc1ncccc1OC(F)F
InChIInChI=1S/C10H14F2N2O2/c1-15-7-3-6-14-9-8(16-10(11)12)4-2-5-13-9/h2,4-5,10H,3,6-7H2,1H3,(H,13,14)
InChIKeyAFRIINCKGMQNQY-UHFFFAOYSA-N
XLogP2.13
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methoxypropylamino)pyridine-3-carbonitrile
CID 17221189
3-propan-2-yloxy-N-(2-propan-2-yloxyethyl)pyridin-2-amine
CID 113450392
1-N-(3-propan-2-yloxy-2-pyridinyl)pentane-1,4-diamine
CID 106127389
5-[(3-methoxy-2-pyridinyl)amino]pentan-2-ol
CID 106128585
N-(6-chlorohexyl)-3-ethoxypyridin-2-amine
CID 107846423
N'-(3-methoxy-2-pyridinyl)hexane-1,6-diamine
CID 107844863
6-[(3-methoxy-2-pyridinyl)amino]hexan-1-ol
CID 107848736
methyl 4-[[3-(difluoromethoxy)-2-pyridinyl]carbamoyl]benzoate
CID 56824300
2-[3-[(3-ethoxy-2-pyridinyl)amino]propoxy]ethanol
CID 106307052
N'-(3-methoxy-2-pyridinyl)-2-methylpentane-1,5-diamine
CID 106155329
5-[(3-propoxy-2-pyridinyl)amino]pentan-2-ol
CID 106129002
N'-(3-methoxy-2-pyridinyl)ethane-1,2-diamine
CID 83826958

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-(3-methoxypropyl)pyridin-2-amine?
The IUPAC name of 3-(difluoromethoxy)-N-(3-methoxypropyl)pyridin-2-amine (CID 75450414) is 3-(difluoromethoxy)-N-(3-methoxypropyl)pyridin-2-amine.
What is the SMILES notation for 3-(difluoromethoxy)-N-(3-methoxypropyl)pyridin-2-amine?
The canonical SMILES for 3-(difluoromethoxy)-N-(3-methoxypropyl)pyridin-2-amine is COCCCNc1ncccc1OC(F)F.
What is the InChIKey of 3-(difluoromethoxy)-N-(3-methoxypropyl)pyridin-2-amine?
The InChIKey is AFRIINCKGMQNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O2/c1-15-7-3-6-14-9-8(16-10(11)12)4-2-5-13-9/h2,4-5,10H,3,6-7H2,1H3,(H,13,14).
What are the key properties of 3-(difluoromethoxy)-N-(3-methoxypropyl)pyridin-2-amine?
3-(difluoromethoxy)-N-(3-methoxypropyl)pyridin-2-amine has a molecular weight of 232.23 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-(3-methoxypropyl)pyridin-2-amine is sourced from PubChem (CID 75450414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).