5-[2-(difluoromethyl)-4-(6-fluoroquinolin-4-yl)phenoxy]-2,4-dimethylpentan-2-amine

C23H25F3N2O — CID 118419876

IUPAC5-[2-(difluoromethyl)-4-(6-fluoroquinolin-4-yl)phenoxy]-2,4-dimethylpentan-2-amine
SMILESCC(COc1ccc(-c2ccnc3ccc(F)cc23)cc1C(F)F)CC(C)(C)N
InChIInChI=1S/C23H25F3N2O/c1-14(12-23(2,3)27)13-29-21-7-4-15(10-19(21)22(25)26)17-8-9-28-20-6-5-16(24)11-18(17)20/h4-11,14,22H,12-13,27H2,1-3H3
InChIKeyLNUCGKVZNNBBCS-UHFFFAOYSA-N
MW402.46 g/mol
LogP6.12
Rot. Bonds7

About 5-[2-(difluoromethyl)-4-(6-fluoroquinolin-4-yl)phenoxy]-2,4-dimethylpentan-2-amine

5-[2-(difluoromethyl)-4-(6-fluoroquinolin-4-yl)phenoxy]-2,4-dimethylpentan-2-amine (PubChem CID 118419876) has the molecular formula C23H25F3N2O and a molecular weight of 402.46 g/mol. Its IUPAC name is 5-[2-(difluoromethyl)-4-(6-fluoroquinolin-4-yl)phenoxy]-2,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name5-[2-(difluoromethyl)-4-(6-fluoroquinolin-4-yl)phenoxy]-2,4-dimethylpentan-2-amine
PubChem CID118419876
Molecular FormulaC23H25F3N2O
Molecular Weight402.46 g/mol
Exact Mass402.19
IUPAC Name5-[2-(difluoromethyl)-4-(6-fluoroquinolin-4-yl)phenoxy]-2,4-dimethylpentan-2-amine
SMILESCC(COc1ccc(-c2ccnc3ccc(F)cc23)cc1C(F)F)CC(C)(C)N
InChIInChI=1S/C23H25F3N2O/c1-14(12-23(2,3)27)13-29-21-7-4-15(10-19(21)22(25)26)17-8-9-28-20-6-5-16(24)11-18(17)20/h4-11,14,22H,12-13,27H2,1-3H3
InChIKeyLNUCGKVZNNBBCS-UHFFFAOYSA-N
XLogP6.12
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.46
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[6-(6-fluoroquinolin-4-yl)-2-methyl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 118420103
5-[4-(7-fluoroquinolin-4-yl)-2-(trifluoromethyl)phenoxy]-2,4-dimethylpentan-2-amine
CID 118420541
5-[[3-(difluoromethyl)-5-(7-methylquinolin-4-yl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 118420069
5-[[5-(7-fluoroquinolin-4-yl)-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 118420340
5-[[4-chloro-6-(6-chloroquinolin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 118420173
1-[[3-(difluoromethyl)-5-(7-fluoroquinolin-4-yl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 129279910
5-[[6-bromo-4-(difluoromethyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 118419804
4-[5-(2,4-dimethylpentoxy)-4-methyl-2-pyridinyl]-6-fluoroquinoline
CID 144940024
(4S)-5-[[6-(2-chloro-5-fluoro-4-pyridinyl)-4-(difluoromethyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 135282879
(4S)-5-[4-(5-chloro-2-fluoro-4-pyridinyl)-2-(trifluoromethyl)phenoxy]-2,4-dimethylpentan-2-amine
CID 135282218
4,4-dimethyl-1-[4-quinolin-4-yl-2-(trifluoromethyl)phenoxy]pentan-2-amine
CID 142797261
7-[[3-(difluoromethyl)-5-quinolin-4-yl-2-pyridinyl]oxy]-4,6,6-trimethylheptan-1-amine
CID 163791404

Frequently Asked Questions

What is the IUPAC name of 5-[2-(difluoromethyl)-4-(6-fluoroquinolin-4-yl)phenoxy]-2,4-dimethylpentan-2-amine?
The IUPAC name of 5-[2-(difluoromethyl)-4-(6-fluoroquinolin-4-yl)phenoxy]-2,4-dimethylpentan-2-amine (CID 118419876) is 5-[2-(difluoromethyl)-4-(6-fluoroquinolin-4-yl)phenoxy]-2,4-dimethylpentan-2-amine.
What is the SMILES notation for 5-[2-(difluoromethyl)-4-(6-fluoroquinolin-4-yl)phenoxy]-2,4-dimethylpentan-2-amine?
The canonical SMILES for 5-[2-(difluoromethyl)-4-(6-fluoroquinolin-4-yl)phenoxy]-2,4-dimethylpentan-2-amine is CC(COc1ccc(-c2ccnc3ccc(F)cc23)cc1C(F)F)CC(C)(C)N.
What is the InChIKey of 5-[2-(difluoromethyl)-4-(6-fluoroquinolin-4-yl)phenoxy]-2,4-dimethylpentan-2-amine?
The InChIKey is LNUCGKVZNNBBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N2O/c1-14(12-23(2,3)27)13-29-21-7-4-15(10-19(21)22(25)26)17-8-9-28-20-6-5-16(24)11-18(17)20/h4-11,14,22H,12-13,27H2,1-3H3.
What are the key properties of 5-[2-(difluoromethyl)-4-(6-fluoroquinolin-4-yl)phenoxy]-2,4-dimethylpentan-2-amine?
5-[2-(difluoromethyl)-4-(6-fluoroquinolin-4-yl)phenoxy]-2,4-dimethylpentan-2-amine has a molecular weight of 402.46 g/mol, XLogP of 6.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(difluoromethyl)-4-(6-fluoroquinolin-4-yl)phenoxy]-2,4-dimethylpentan-2-amine is sourced from PubChem (CID 118419876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).