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

C20H24F4N2O — CID 118420200

IUPAC(2S)-1-[2-(difluoromethyl)-4-[2-(difluoromethyl)-4-pyridinyl]phenoxy]-2,4-dimethylpentan-2-amine
SMILESCC(C)C[C@](C)(N)COc1ccc(-c2ccnc(C(F)F)c2)cc1C(F)F
InChIInChI=1S/C20H24F4N2O/c1-12(2)10-20(3,25)11-27-17-5-4-13(8-15(17)18(21)22)14-6-7-26-16(9-14)19(23)24/h4-9,12,18-19H,10-11,25H2,1-3H3/t20-/m0/s1
InChIKeyNGBWQVJCOYTGOR-FQEVSTJZSA-N
MW384.42 g/mol
LogP5.77
Rot. Bonds8

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

(2S)-1-[2-(difluoromethyl)-4-[2-(difluoromethyl)-4-pyridinyl]phenoxy]-2,4-dimethylpentan-2-amine (PubChem CID 118420200) has the molecular formula C20H24F4N2O and a molecular weight of 384.42 g/mol. Its IUPAC name is (2S)-1-[2-(difluoromethyl)-4-[2-(difluoromethyl)-4-pyridinyl]phenoxy]-2,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name(2S)-1-[2-(difluoromethyl)-4-[2-(difluoromethyl)-4-pyridinyl]phenoxy]-2,4-dimethylpentan-2-amine
PubChem CID118420200
Molecular FormulaC20H24F4N2O
Molecular Weight384.42 g/mol
Exact Mass384.18
IUPAC Name(2S)-1-[2-(difluoromethyl)-4-[2-(difluoromethyl)-4-pyridinyl]phenoxy]-2,4-dimethylpentan-2-amine
SMILESCC(C)C[C@](C)(N)COc1ccc(-c2ccnc(C(F)F)c2)cc1C(F)F
InChIInChI=1S/C20H24F4N2O/c1-12(2)10-20(3,25)11-27-17-5-4-13(8-15(17)18(21)22)14-6-7-26-16(9-14)19(23)24/h4-9,12,18-19H,10-11,25H2,1-3H3/t20-/m0/s1
InChIKeyNGBWQVJCOYTGOR-FQEVSTJZSA-N
XLogP5.77
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.42
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-(difluoromethyl)-4-[2-(difluoromethyl)-4-pyridinyl]phenoxy]-2,4-dimethylpentan-2-amine?
The IUPAC name of (2S)-1-[2-(difluoromethyl)-4-[2-(difluoromethyl)-4-pyridinyl]phenoxy]-2,4-dimethylpentan-2-amine (CID 118420200) is (2S)-1-[2-(difluoromethyl)-4-[2-(difluoromethyl)-4-pyridinyl]phenoxy]-2,4-dimethylpentan-2-amine.
What is the SMILES notation for (2S)-1-[2-(difluoromethyl)-4-[2-(difluoromethyl)-4-pyridinyl]phenoxy]-2,4-dimethylpentan-2-amine?
The canonical SMILES for (2S)-1-[2-(difluoromethyl)-4-[2-(difluoromethyl)-4-pyridinyl]phenoxy]-2,4-dimethylpentan-2-amine is CC(C)C[C@](C)(N)COc1ccc(-c2ccnc(C(F)F)c2)cc1C(F)F.
What is the InChIKey of (2S)-1-[2-(difluoromethyl)-4-[2-(difluoromethyl)-4-pyridinyl]phenoxy]-2,4-dimethylpentan-2-amine?
The InChIKey is NGBWQVJCOYTGOR-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H24F4N2O/c1-12(2)10-20(3,25)11-27-17-5-4-13(8-15(17)18(21)22)14-6-7-26-16(9-14)19(23)24/h4-9,12,18-19H,10-11,25H2,1-3H3/t20-/m0/s1.
What are the key properties of (2S)-1-[2-(difluoromethyl)-4-[2-(difluoromethyl)-4-pyridinyl]phenoxy]-2,4-dimethylpentan-2-amine?
(2S)-1-[2-(difluoromethyl)-4-[2-(difluoromethyl)-4-pyridinyl]phenoxy]-2,4-dimethylpentan-2-amine has a molecular weight of 384.42 g/mol, XLogP of 5.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-(difluoromethyl)-4-[2-(difluoromethyl)-4-pyridinyl]phenoxy]-2,4-dimethylpentan-2-amine is sourced from PubChem (CID 118420200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).