(2S)-1-[[6-[2-(difluoromethyl)-4-pyridinyl]-4-methoxy-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine

C19H25F2N3O2 — CID 118420269

IUPAC(2S)-1-[[6-[2-(difluoromethyl)-4-pyridinyl]-4-methoxy-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
SMILESCOc1cc(-c2ccnc(C(F)F)c2)ncc1OC[C@@](C)(N)CC(C)C
InChIInChI=1S/C19H25F2N3O2/c1-12(2)9-19(3,22)11-26-17-10-24-14(8-16(17)25-4)13-5-6-23-15(7-13)18(20)21/h5-8,10,12,18H,9,11,22H2,1-4H3/t19-/m0/s1
InChIKeyFOYCJWNMPKZNFD-IBGZPJMESA-N
MW365.42 g/mol
LogP4.23
Rot. Bonds8

About (2S)-1-[[6-[2-(difluoromethyl)-4-pyridinyl]-4-methoxy-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine

(2S)-1-[[6-[2-(difluoromethyl)-4-pyridinyl]-4-methoxy-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine (PubChem CID 118420269) has the molecular formula C19H25F2N3O2 and a molecular weight of 365.42 g/mol. Its IUPAC name is (2S)-1-[[6-[2-(difluoromethyl)-4-pyridinyl]-4-methoxy-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name(2S)-1-[[6-[2-(difluoromethyl)-4-pyridinyl]-4-methoxy-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
PubChem CID118420269
Molecular FormulaC19H25F2N3O2
Molecular Weight365.42 g/mol
Exact Mass365.19
IUPAC Name(2S)-1-[[6-[2-(difluoromethyl)-4-pyridinyl]-4-methoxy-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
SMILESCOc1cc(-c2ccnc(C(F)F)c2)ncc1OC[C@@](C)(N)CC(C)C
InChIInChI=1S/C19H25F2N3O2/c1-12(2)9-19(3,22)11-26-17-10-24-14(8-16(17)25-4)13-5-6-23-15(7-13)18(20)21/h5-8,10,12,18H,9,11,22H2,1-4H3/t19-/m0/s1
InChIKeyFOYCJWNMPKZNFD-IBGZPJMESA-N
XLogP4.23
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[6-[2-(difluoromethyl)-4-pyridinyl]-4-methoxy-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
The IUPAC name of (2S)-1-[[6-[2-(difluoromethyl)-4-pyridinyl]-4-methoxy-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine (CID 118420269) is (2S)-1-[[6-[2-(difluoromethyl)-4-pyridinyl]-4-methoxy-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine.
What is the SMILES notation for (2S)-1-[[6-[2-(difluoromethyl)-4-pyridinyl]-4-methoxy-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
The canonical SMILES for (2S)-1-[[6-[2-(difluoromethyl)-4-pyridinyl]-4-methoxy-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine is COc1cc(-c2ccnc(C(F)F)c2)ncc1OC[C@@](C)(N)CC(C)C.
What is the InChIKey of (2S)-1-[[6-[2-(difluoromethyl)-4-pyridinyl]-4-methoxy-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
The InChIKey is FOYCJWNMPKZNFD-IBGZPJMESA-N. The full InChI is InChI=1S/C19H25F2N3O2/c1-12(2)9-19(3,22)11-26-17-10-24-14(8-16(17)25-4)13-5-6-23-15(7-13)18(20)21/h5-8,10,12,18H,9,11,22H2,1-4H3/t19-/m0/s1.
What are the key properties of (2S)-1-[[6-[2-(difluoromethyl)-4-pyridinyl]-4-methoxy-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
(2S)-1-[[6-[2-(difluoromethyl)-4-pyridinyl]-4-methoxy-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine has a molecular weight of 365.42 g/mol, XLogP of 4.23, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[6-[2-(difluoromethyl)-4-pyridinyl]-4-methoxy-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine is sourced from PubChem (CID 118420269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).