N-(3-butoxypropyl)-3-chloro-5-(trifluoromethyl)pyridin-2-amine

C13H18ClF3N2O — CID 115569610

IUPACN-(3-butoxypropyl)-3-chloro-5-(trifluoromethyl)pyridin-2-amine
SMILESCCCCOCCCNc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C13H18ClF3N2O/c1-2-3-6-20-7-4-5-18-12-11(14)8-10(9-19-12)13(15,16)17/h8-9H,2-7H2,1H3,(H,18,19)
InChIKeyZFHBCTLZHZIPLR-UHFFFAOYSA-N
MW310.75 g/mol
LogP4.37
Rot. Bonds8

About N-(3-butoxypropyl)-3-chloro-5-(trifluoromethyl)pyridin-2-amine

N-(3-butoxypropyl)-3-chloro-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 115569610) has the molecular formula C13H18ClF3N2O and a molecular weight of 310.75 g/mol. Its IUPAC name is N-(3-butoxypropyl)-3-chloro-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(3-butoxypropyl)-3-chloro-5-(trifluoromethyl)pyridin-2-amine
PubChem CID115569610
Molecular FormulaC13H18ClF3N2O
Molecular Weight310.75 g/mol
Exact Mass310.11
IUPAC NameN-(3-butoxypropyl)-3-chloro-5-(trifluoromethyl)pyridin-2-amine
SMILESCCCCOCCCNc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C13H18ClF3N2O/c1-2-3-6-20-7-4-5-18-12-11(14)8-10(9-19-12)13(15,16)17/h8-9H,2-7H2,1H3,(H,18,19)
InChIKeyZFHBCTLZHZIPLR-UHFFFAOYSA-N
XLogP4.37
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.75
LogP ≤ 54.37
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'-tert-butyl-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propane-1,3-diamine
CID 158421332
3-chloro-N-(5-chloropentyl)-5-(trifluoromethyl)pyridin-2-amine
CID 107320716
3-chloro-N-(3-cyclopentylpropyl)-5-(trifluoromethyl)pyridin-2-amine
CID 106012866
5-bromo-N-(3-butoxypropyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796377
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid
CID 2773862
3-chloro-N-(2-cyclohexyloxyethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 61063880
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl carbamate
CID 83204495
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol
CID 53410038
3-chloro-N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 28522071
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]methanesulfonamide
CID 3847361
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]formamide
CID 145422813
1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol
CID 43388784

Frequently Asked Questions

What is the IUPAC name of N-(3-butoxypropyl)-3-chloro-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-(3-butoxypropyl)-3-chloro-5-(trifluoromethyl)pyridin-2-amine (CID 115569610) is N-(3-butoxypropyl)-3-chloro-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-(3-butoxypropyl)-3-chloro-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-(3-butoxypropyl)-3-chloro-5-(trifluoromethyl)pyridin-2-amine is CCCCOCCCNc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of N-(3-butoxypropyl)-3-chloro-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is ZFHBCTLZHZIPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClF3N2O/c1-2-3-6-20-7-4-5-18-12-11(14)8-10(9-19-12)13(15,16)17/h8-9H,2-7H2,1H3,(H,18,19).
What are the key properties of N-(3-butoxypropyl)-3-chloro-5-(trifluoromethyl)pyridin-2-amine?
N-(3-butoxypropyl)-3-chloro-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 310.75 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxypropyl)-3-chloro-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 115569610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).