4-methyl-3-[[4-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol

C12H17F3N2O — CID 103736616

IUPAC4-methyl-3-[[4-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol
SMILESCC(C)C(CCO)Nc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C12H17F3N2O/c1-8(2)10(4-6-18)17-11-7-9(3-5-16-11)12(13,14)15/h3,5,7-8,10,18H,4,6H2,1-2H3,(H,16,17)
InChIKeyAGVZZSSCXKZIIC-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.92
Rot. Bonds5

About 4-methyl-3-[[4-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol

4-methyl-3-[[4-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol (PubChem CID 103736616) has the molecular formula C12H17F3N2O and a molecular weight of 262.27 g/mol. Its IUPAC name is 4-methyl-3-[[4-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol.

Molecular Properties

Compound Name4-methyl-3-[[4-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol
PubChem CID103736616
Molecular FormulaC12H17F3N2O
Molecular Weight262.27 g/mol
Exact Mass262.13
IUPAC Name4-methyl-3-[[4-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol
SMILESCC(C)C(CCO)Nc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C12H17F3N2O/c1-8(2)10(4-6-18)17-11-7-9(3-5-16-11)12(13,14)15/h3,5,7-8,10,18H,4,6H2,1-2H3,(H,16,17)
InChIKeyAGVZZSSCXKZIIC-UHFFFAOYSA-N
XLogP2.92
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]-4-methylpentan-1-ol
CID 106358437
3-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]butanamide
CID 114176396
4-[[4-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol
CID 66329465
4-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]pentanoic acid
CID 66328053
N-(1-pyridin-4-ylethyl)-4-(trifluoromethyl)pyridin-2-amine
CID 66328268
N-(3-chlorobutyl)-4-(trifluoromethyl)pyridin-2-amine
CID 66330886
N-[1-(4-bromophenyl)ethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 66331036
3-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-4-methylpentan-1-ol
CID 106358061
N-[1-(furan-2-yl)propan-2-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 66330241
N-[1-[4-(aminomethyl)phenyl]ethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 66331013
1-N,1-N,4-trimethyl-2-N-[4-(trifluoromethyl)-2-pyridinyl]pentane-1,2-diamine
CID 66328480
N-methyl-4-(trifluoromethyl)pyridin-2-amine;hydrochloride
CID 175492104

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[[4-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol?
The IUPAC name of 4-methyl-3-[[4-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol (CID 103736616) is 4-methyl-3-[[4-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol.
What is the SMILES notation for 4-methyl-3-[[4-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol?
The canonical SMILES for 4-methyl-3-[[4-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol is CC(C)C(CCO)Nc1cc(C(F)(F)F)ccn1.
What is the InChIKey of 4-methyl-3-[[4-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol?
The InChIKey is AGVZZSSCXKZIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O/c1-8(2)10(4-6-18)17-11-7-9(3-5-16-11)12(13,14)15/h3,5,7-8,10,18H,4,6H2,1-2H3,(H,16,17).
What are the key properties of 4-methyl-3-[[4-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol?
4-methyl-3-[[4-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol has a molecular weight of 262.27 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[[4-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol is sourced from PubChem (CID 103736616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).