N-(3-methoxypropyl)-5-(trifluoromethyl)pyridin-2-amine

C10H13F3N2O — CID 2988986

IUPACN-(3-methoxypropyl)-5-(trifluoromethyl)pyridin-2-amine
SMILESCOCCCNc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C10H13F3N2O/c1-16-6-2-5-14-9-4-3-8(7-15-9)10(11,12)13/h3-4,7H,2,5-6H2,1H3,(H,14,15)
InChIKeyVZHLAGPPUWDJDR-UHFFFAOYSA-N
MW234.22 g/mol
LogP2.55
Rot. Bonds5

About N-(3-methoxypropyl)-5-(trifluoromethyl)pyridin-2-amine

N-(3-methoxypropyl)-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 2988986) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is N-(3-methoxypropyl)-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-5-(trifluoromethyl)pyridin-2-amine
PubChem CID2988986
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC NameN-(3-methoxypropyl)-5-(trifluoromethyl)pyridin-2-amine
SMILESCOCCCNc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C10H13F3N2O/c1-16-6-2-5-14-9-4-3-8(7-15-9)10(11,12)13/h3-4,7H,2,5-6H2,1H3,(H,14,15)
InChIKeyVZHLAGPPUWDJDR-UHFFFAOYSA-N
XLogP2.55
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-N'-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
CID 83038922
1-(3-methoxypropyl)-2-methyl-3-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]guanidine;hydroiodide
CID 110974588
N-(4-chlorobutyl)-5-(trifluoromethyl)pyridin-2-amine
CID 106845031
N-(3-chloro-4-methoxybutyl)-5-(trifluoromethyl)pyridin-2-amine
CID 106242955
N-(3-cyclopropylpropyl)-5-(trifluoromethyl)pyridin-2-amine
CID 115637573
methyl 3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanoate
CID 60631959
N-(3-phenylpropyl)-5-(trifluoromethyl)pyridin-2-amine
CID 60631694
6-N-(3-methoxypropyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112856959
4-tert-butyl-N-[6-(3-methoxypropylamino)-3-pyridinyl]benzamide
CID 113010472
5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pentanamide
CID 114162427
3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propane-1-sulfonamide
CID 47299073
5-tert-butyl-N-(4,4,4-trifluorobutyl)pyridin-2-amine
CID 114011601

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-(3-methoxypropyl)-5-(trifluoromethyl)pyridin-2-amine (CID 2988986) is N-(3-methoxypropyl)-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-(3-methoxypropyl)-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-(3-methoxypropyl)-5-(trifluoromethyl)pyridin-2-amine is COCCCNc1ccc(C(F)(F)F)cn1.
What is the InChIKey of N-(3-methoxypropyl)-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is VZHLAGPPUWDJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O/c1-16-6-2-5-14-9-4-3-8(7-15-9)10(11,12)13/h3-4,7H,2,5-6H2,1H3,(H,14,15).
What are the key properties of N-(3-methoxypropyl)-5-(trifluoromethyl)pyridin-2-amine?
N-(3-methoxypropyl)-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 234.22 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 2988986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).