(2S)-1-[2-(difluoromethyl)-4-(2-methoxy-4-pyridinyl)phenoxy]-2,4-dimethylpentan-2-amine

C20H26F2N2O2 — CID 135282262

IUPAC(2S)-1-[2-(difluoromethyl)-4-(2-methoxy-4-pyridinyl)phenoxy]-2,4-dimethylpentan-2-amine
SMILESCOc1cc(-c2ccc(OC[C@@](C)(N)CC(C)C)c(C(F)F)c2)ccn1
InChIInChI=1S/C20H26F2N2O2/c1-13(2)11-20(3,23)12-26-17-6-5-14(9-16(17)19(21)22)15-7-8-24-18(10-15)25-4/h5-10,13,19H,11-12,23H2,1-4H3/t20-/m0/s1
InChIKeyGPWOFKIENUMEHE-FQEVSTJZSA-N
MW364.44 g/mol
LogP4.84
Rot. Bonds8

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

(2S)-1-[2-(difluoromethyl)-4-(2-methoxy-4-pyridinyl)phenoxy]-2,4-dimethylpentan-2-amine (PubChem CID 135282262) has the molecular formula C20H26F2N2O2 and a molecular weight of 364.44 g/mol. Its IUPAC name is (2S)-1-[2-(difluoromethyl)-4-(2-methoxy-4-pyridinyl)phenoxy]-2,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name(2S)-1-[2-(difluoromethyl)-4-(2-methoxy-4-pyridinyl)phenoxy]-2,4-dimethylpentan-2-amine
PubChem CID135282262
Molecular FormulaC20H26F2N2O2
Molecular Weight364.44 g/mol
Exact Mass364.20
IUPAC Name(2S)-1-[2-(difluoromethyl)-4-(2-methoxy-4-pyridinyl)phenoxy]-2,4-dimethylpentan-2-amine
SMILESCOc1cc(-c2ccc(OC[C@@](C)(N)CC(C)C)c(C(F)F)c2)ccn1
InChIInChI=1S/C20H26F2N2O2/c1-13(2)11-20(3,23)12-26-17-6-5-14(9-16(17)19(21)22)15-7-8-24-18(10-15)25-4/h5-10,13,19H,11-12,23H2,1-4H3/t20-/m0/s1
InChIKeyGPWOFKIENUMEHE-FQEVSTJZSA-N
XLogP4.84
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-1-[2-(difluoromethyl)-4-(2-methoxy-4-pyridinyl)phenoxy]-2,4-dimethylpentan-2-amine with MolForge

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Related Compounds

Pilavapadin
CID 118419773
(4s)-2'-(3,6-Dihydro-2h-Pyran-4-Yl)-4'-Fluoro-7'-(2-Fluoropyridin-3-Yl)spiro[1,3-Oxazole-4,9'-Xanthen]-2-Amine
CID 45254900
(4r,4a's,10a'r)-8'-(2-Fluoropyridin-3-Yl)-4a'-Methyl-3',4',4a',10a'-Tetrahydro-2'h-Spiro[1,3-Oxazole-4,10'-Pyrano[3,2-B]chromen]-2-Amine
CID 67950186
(4r,4a'r,10a's)-8'-(2-Fluoropyridin-3-Yl)-4a'-Methyl-3',4',4a',10a'-Tetrahydro-2'h-Spiro[1,3-Oxazole-4,10'-Pyrano[3,2-B]chromen]-2-Amine
CID 67971215
(2S,3S)-N-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]-2-phenylpiperidin-3-amine
CID 10499614
Spiro[1,4-oxazepine-3(2H),9'-[9H]xanthen]-5-amine, 2'-(2,2-dimethylpropoxy)-4'-fluoro-7'-(2-fluoro-3-pyridinyl)-6,7-dihydro-, (3S)-
CID 60164519
US10155760, Example 74
CID 91938067
US10155760, Example 23
CID 118419711
US10155760, Example 126
CID 118419759
US10155760, Example 45
CID 118419778
US10155760, Example 19
CID 118419969
US10155760, Example 36
CID 118420147

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-(difluoromethyl)-4-(2-methoxy-4-pyridinyl)phenoxy]-2,4-dimethylpentan-2-amine?
The IUPAC name of (2S)-1-[2-(difluoromethyl)-4-(2-methoxy-4-pyridinyl)phenoxy]-2,4-dimethylpentan-2-amine (CID 135282262) is (2S)-1-[2-(difluoromethyl)-4-(2-methoxy-4-pyridinyl)phenoxy]-2,4-dimethylpentan-2-amine.
What is the SMILES notation for (2S)-1-[2-(difluoromethyl)-4-(2-methoxy-4-pyridinyl)phenoxy]-2,4-dimethylpentan-2-amine?
The canonical SMILES for (2S)-1-[2-(difluoromethyl)-4-(2-methoxy-4-pyridinyl)phenoxy]-2,4-dimethylpentan-2-amine is COc1cc(-c2ccc(OC[C@@](C)(N)CC(C)C)c(C(F)F)c2)ccn1.
What is the InChIKey of (2S)-1-[2-(difluoromethyl)-4-(2-methoxy-4-pyridinyl)phenoxy]-2,4-dimethylpentan-2-amine?
The InChIKey is GPWOFKIENUMEHE-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H26F2N2O2/c1-13(2)11-20(3,23)12-26-17-6-5-14(9-16(17)19(21)22)15-7-8-24-18(10-15)25-4/h5-10,13,19H,11-12,23H2,1-4H3/t20-/m0/s1.
What are the key properties of (2S)-1-[2-(difluoromethyl)-4-(2-methoxy-4-pyridinyl)phenoxy]-2,4-dimethylpentan-2-amine?
(2S)-1-[2-(difluoromethyl)-4-(2-methoxy-4-pyridinyl)phenoxy]-2,4-dimethylpentan-2-amine has a molecular weight of 364.44 g/mol, XLogP of 4.84, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-(difluoromethyl)-4-(2-methoxy-4-pyridinyl)phenoxy]-2,4-dimethylpentan-2-amine is sourced from PubChem (CID 135282262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).