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

C19H25F2N3O — CID 135282104

IUPAC(4S)-5-[[5-[2-(difluoromethyl)-4-pyridinyl]-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
SMILESCc1cc(-c2ccnc(C(F)F)c2)cnc1OC[C@@H](C)CC(C)(C)N
InChIInChI=1S/C19H25F2N3O/c1-12(9-19(3,4)22)11-25-18-13(2)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/t12-/m0/s1
InChIKeyFNIOCKMNOMNDHO-LBPRGKRZSA-N
MW349.43 g/mol
LogP4.53
Rot. Bonds7

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

(4S)-5-[[5-[2-(difluoromethyl)-4-pyridinyl]-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine (PubChem CID 135282104) has the molecular formula C19H25F2N3O and a molecular weight of 349.43 g/mol. Its IUPAC name is (4S)-5-[[5-[2-(difluoromethyl)-4-pyridinyl]-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name(4S)-5-[[5-[2-(difluoromethyl)-4-pyridinyl]-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
PubChem CID135282104
Molecular FormulaC19H25F2N3O
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC Name(4S)-5-[[5-[2-(difluoromethyl)-4-pyridinyl]-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
SMILESCc1cc(-c2ccnc(C(F)F)c2)cnc1OC[C@@H](C)CC(C)(C)N
InChIInChI=1S/C19H25F2N3O/c1-12(9-19(3,4)22)11-25-18-13(2)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/t12-/m0/s1
InChIKeyFNIOCKMNOMNDHO-LBPRGKRZSA-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 (4S)-5-[[5-[2-(difluoromethyl)-4-pyridinyl]-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine with MolForge

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Launch Full Analysis

Related Compounds

5-[[5-(7-fluoroquinolin-4-yl)-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 118420340
5-[[3-(difluoromethyl)-5-(7-methylquinolin-4-yl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 118420069
1-[[3-(difluoromethyl)-5-[2-(difluoromethyl)-4-pyridinyl]-2-pyridinyl]oxy]-4-fluoro-2,4-dimethylpentan-2-amine
CID 171612431
5-[[6-[2-(difluoromethyl)-4-pyridinyl]-4-methyl-3-pyridinyl]oxy]-2,4-dimethylpentan-1-amine
CID 135282182
(4S)-2,4-dimethyl-5-[[6-(2-methyl-4-pyridinyl)-4-(trifluoromethyl)-3-pyridinyl]oxy]pentan-2-amine
CID 118419976
[1-[[3-cyano-5-[2-(difluoromethyl)-4-pyridinyl]-2-pyridinyl]oxy]-2,4-dimethylpentan-2-yl]carbamic acid
CID 118419890
2-(difluoromethyl)-4-[4-(2,4-dimethylpentoxy)-3-(trifluoromethyl)phenyl]pyridine
CID 123296876
tert-butyl carbamate;2-[2-(difluoromethyl)-4-pyridinyl]-5-(2,4-dimethylpentoxy)-4-methylpyridine
CID 144940027
5-(2-chloro-4-pyridinyl)-3-(difluoromethyl)-2-[(2S)-2,4-dimethylpentoxy]pyridine
CID 151683369
2-(2,4-dimethylpentoxy)-5-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)pyridine
CID 144939879
1-[[2-(difluoromethyl)-6-[2-(difluoromethyl)-4-pyridinyl]-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 118420146
(2S)-1-[[3-chloro-5-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 118419702

Frequently Asked Questions

What is the IUPAC name of (4S)-5-[[5-[2-(difluoromethyl)-4-pyridinyl]-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
The IUPAC name of (4S)-5-[[5-[2-(difluoromethyl)-4-pyridinyl]-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine (CID 135282104) is (4S)-5-[[5-[2-(difluoromethyl)-4-pyridinyl]-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine.
What is the SMILES notation for (4S)-5-[[5-[2-(difluoromethyl)-4-pyridinyl]-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
The canonical SMILES for (4S)-5-[[5-[2-(difluoromethyl)-4-pyridinyl]-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine is Cc1cc(-c2ccnc(C(F)F)c2)cnc1OC[C@@H](C)CC(C)(C)N.
What is the InChIKey of (4S)-5-[[5-[2-(difluoromethyl)-4-pyridinyl]-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
The InChIKey is FNIOCKMNOMNDHO-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H25F2N3O/c1-12(9-19(3,4)22)11-25-18-13(2)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/t12-/m0/s1.
What are the key properties of (4S)-5-[[5-[2-(difluoromethyl)-4-pyridinyl]-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
(4S)-5-[[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 (4S)-5-[[5-[2-(difluoromethyl)-4-pyridinyl]-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine is sourced from PubChem (CID 135282104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).