ethane;1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-4-methyl-N-(2-methylpropyl)-2-(quinolin-4-ylmethyl)pentan-2-amine

C29H38F4N2 — CID 142840222

IUPACethane;1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-4-methyl-N-(2-methylpropyl)-2-(quinolin-4-ylmethyl)pentan-2-amine
SMILESCC.Cc1ccc(F)cc1C(C)(C)CC(Cc1ccnc2ccccc12)(NCC(C)C)C(F)(F)F
InChIInChI=1S/C27H32F4N2.C2H6/c1-18(2)16-33-26(27(29,30)31,15-20-12-13-32-24-9-7-6-8-22(20)24)17-25(4,5)23-14-21(28)11-10-19(23)3;1-2/h6-14,18,33H,15-17H2,1-5H3;1-2H3
InChIKeyDLRZMZLVGKPLSM-UHFFFAOYSA-N
MW490.63 g/mol
LogP8.17
Rot. Bonds8

About ethane;1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-4-methyl-N-(2-methylpropyl)-2-(quinolin-4-ylmethyl)pentan-2-amine

ethane;1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-4-methyl-N-(2-methylpropyl)-2-(quinolin-4-ylmethyl)pentan-2-amine (PubChem CID 142840222) has the molecular formula C29H38F4N2 and a molecular weight of 490.63 g/mol. Its IUPAC name is ethane;1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-4-methyl-N-(2-methylpropyl)-2-(quinolin-4-ylmethyl)pentan-2-amine.

Molecular Properties

Compound Nameethane;1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-4-methyl-N-(2-methylpropyl)-2-(quinolin-4-ylmethyl)pentan-2-amine
PubChem CID142840222
Molecular FormulaC29H38F4N2
Molecular Weight490.63 g/mol
Exact Mass490.30
IUPAC Nameethane;1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-4-methyl-N-(2-methylpropyl)-2-(quinolin-4-ylmethyl)pentan-2-amine
SMILESCC.Cc1ccc(F)cc1C(C)(C)CC(Cc1ccnc2ccccc12)(NCC(C)C)C(F)(F)F
InChIInChI=1S/C27H32F4N2.C2H6/c1-18(2)16-33-26(27(29,30)31,15-20-12-13-32-24-9-7-6-8-22(20)24)17-25(4,5)23-14-21(28)11-10-19(23)3;1-2/h6-14,18,33H,15-17H2,1-5H3;1-2H3
InChIKeyDLRZMZLVGKPLSM-UHFFFAOYSA-N
XLogP8.17
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.63
LogP ≤ 58.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-N-propyl-2-(quinolin-4-ylmethyl)pentan-2-amine
CID 10322107
5-fluoro-2-[5,5,5-trifluoro-4-hydroxy-2-methyl-4-(quinolin-4-ylmethyl)pentan-2-yl]phenol
CID 22398563
1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-2-[(isoquinolin-1-ylamino)methyl]-4-methylpentan-2-ol
CID 142776821
1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-4-methyl-2-(pyridin-2-ylmethyl)pentan-2-ol
CID 71146377
4-(2-ethyl-5-fluorophenyl)-1,1,1-trifluoro-2-[(7-fluoroquinolin-4-yl)methyl]-4-methylpentan-2-ol
CID 71146383
3-(5-fluoro-2-methylphenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 81035050
1,1,1-trifluoro-4-methyl-2-(quinolin-4-ylmethyl)-4-[3-(trifluoromethyl)phenyl]pentan-2-ol
CID 22398523
1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-4-methyl-2-(5H-pyrrolo[2,3-b]pyrazin-6-ylmethyl)pentan-2-ol
CID 11269445
3,3-dimethyl-4-quinolin-4-ylbutan-1-amine
CID 81014335
1,1,1-trifluoro-4-(1-methoxynaphthalen-2-yl)-4-methyl-2-(quinolin-4-ylmethyl)pentan-2-ol
CID 22398612
2-[4-[(3-chloroquinolin-4-yl)methyl]-5,5,5-trifluoro-4-hydroxy-2-methylpentan-2-yl]-4-fluorophenol
CID 10173613
1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-2,4-dimethylpentan-2-ol
CID 91089694

Frequently Asked Questions

What is the IUPAC name of ethane;1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-4-methyl-N-(2-methylpropyl)-2-(quinolin-4-ylmethyl)pentan-2-amine?
The IUPAC name of ethane;1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-4-methyl-N-(2-methylpropyl)-2-(quinolin-4-ylmethyl)pentan-2-amine (CID 142840222) is ethane;1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-4-methyl-N-(2-methylpropyl)-2-(quinolin-4-ylmethyl)pentan-2-amine.
What is the SMILES notation for ethane;1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-4-methyl-N-(2-methylpropyl)-2-(quinolin-4-ylmethyl)pentan-2-amine?
The canonical SMILES for ethane;1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-4-methyl-N-(2-methylpropyl)-2-(quinolin-4-ylmethyl)pentan-2-amine is CC.Cc1ccc(F)cc1C(C)(C)CC(Cc1ccnc2ccccc12)(NCC(C)C)C(F)(F)F.
What is the InChIKey of ethane;1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-4-methyl-N-(2-methylpropyl)-2-(quinolin-4-ylmethyl)pentan-2-amine?
The InChIKey is DLRZMZLVGKPLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32F4N2.C2H6/c1-18(2)16-33-26(27(29,30)31,15-20-12-13-32-24-9-7-6-8-22(20)24)17-25(4,5)23-14-21(28)11-10-19(23)3;1-2/h6-14,18,33H,15-17H2,1-5H3;1-2H3.
What are the key properties of ethane;1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-4-methyl-N-(2-methylpropyl)-2-(quinolin-4-ylmethyl)pentan-2-amine?
ethane;1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-4-methyl-N-(2-methylpropyl)-2-(quinolin-4-ylmethyl)pentan-2-amine has a molecular weight of 490.63 g/mol, XLogP of 8.17, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-4-methyl-N-(2-methylpropyl)-2-(quinolin-4-ylmethyl)pentan-2-amine is sourced from PubChem (CID 142840222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).