(2S)-1-[[5-[2-(difluoromethyl)-4-pyridinyl]-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine

C19H25F2N3O — CID 118429836

IUPAC(2S)-1-[[5-[2-(difluoromethyl)-4-pyridinyl]-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
SMILESCc1cc(-c2ccnc(C(F)F)c2)cnc1OC[C@@](C)(N)CC(C)C
InChIInChI=1S/C19H25F2N3O/c1-12(2)9-19(4,22)11-25-18-13(3)7-15(10-24-18)14-5-6-23-16(8-14)17(20)21/h5-8,10,12,17H,9,11,22H2,1-4H3/t19-/m0/s1
InChIKeyXNDCZOZTMJFJKQ-IBGZPJMESA-N
MW349.43 g/mol
LogP4.53
Rot. Bonds7

About (2S)-1-[[5-[2-(difluoromethyl)-4-pyridinyl]-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine

(2S)-1-[[5-[2-(difluoromethyl)-4-pyridinyl]-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine (PubChem CID 118429836) has the molecular formula C19H25F2N3O and a molecular weight of 349.43 g/mol. Its IUPAC name is (2S)-1-[[5-[2-(difluoromethyl)-4-pyridinyl]-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name(2S)-1-[[5-[2-(difluoromethyl)-4-pyridinyl]-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
PubChem CID118429836
Molecular FormulaC19H25F2N3O
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC Name(2S)-1-[[5-[2-(difluoromethyl)-4-pyridinyl]-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
SMILESCc1cc(-c2ccnc(C(F)F)c2)cnc1OC[C@@](C)(N)CC(C)C
InChIInChI=1S/C19H25F2N3O/c1-12(2)9-19(4,22)11-25-18-13(3)7-15(10-24-18)14-5-6-23-16(8-14)17(20)21/h5-8,10,12,17H,9,11,22H2,1-4H3/t19-/m0/s1
InChIKeyXNDCZOZTMJFJKQ-IBGZPJMESA-N
XLogP4.53
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-1-[[5-[2-(difluoromethyl)-4-pyridinyl]-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine with MolForge

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Related Compounds

CID 118419773
CID 118419773
CID 44133851
CID 44133851
CID 15983457
CID 15983457
CID 118419759
CID 118419759
CID 118419778
CID 118419778
CID 118419882
CID 118419882
CID 118420147
CID 118420147
CID 118420200
CID 118420200
CID 118420203
CID 118420203
CID 118420369
CID 118420369
CID 118420559
CID 118420559
CID 118429626
CID 118429626

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[5-[2-(difluoromethyl)-4-pyridinyl]-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
The IUPAC name of (2S)-1-[[5-[2-(difluoromethyl)-4-pyridinyl]-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine (CID 118429836) is (2S)-1-[[5-[2-(difluoromethyl)-4-pyridinyl]-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine.
What is the SMILES notation for (2S)-1-[[5-[2-(difluoromethyl)-4-pyridinyl]-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
The canonical SMILES for (2S)-1-[[5-[2-(difluoromethyl)-4-pyridinyl]-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine is Cc1cc(-c2ccnc(C(F)F)c2)cnc1OC[C@@](C)(N)CC(C)C.
What is the InChIKey of (2S)-1-[[5-[2-(difluoromethyl)-4-pyridinyl]-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
The InChIKey is XNDCZOZTMJFJKQ-IBGZPJMESA-N. The full InChI is InChI=1S/C19H25F2N3O/c1-12(2)9-19(4,22)11-25-18-13(3)7-15(10-24-18)14-5-6-23-16(8-14)17(20)21/h5-8,10,12,17H,9,11,22H2,1-4H3/t19-/m0/s1.
What are the key properties of (2S)-1-[[5-[2-(difluoromethyl)-4-pyridinyl]-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
(2S)-1-[[5-[2-(difluoromethyl)-4-pyridinyl]-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine has a molecular weight of 349.43 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[5-[2-(difluoromethyl)-4-pyridinyl]-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine is sourced from PubChem (CID 118429836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).