(1R)-2,2,2-trifluoro-1-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)ethanamine

C18H20F3NO — CID 164523189

IUPAC(1R)-2,2,2-trifluoro-1-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)ethanamine
SMILESCOc1ccc([C@](N)(c2ccc(C(C)C)cc2)C(F)(F)F)cc1
InChIInChI=1S/C18H20F3NO/c1-12(2)13-4-6-14(7-5-13)17(22,18(19,20)21)15-8-10-16(23-3)11-9-15/h4-12H,22H2,1-3H3/t17-/m1/s1
InChIKeyFAFWDLMQYVZFPR-QGZVFWFLSA-N
MW323.36 g/mol
LogP4.58
Rot. Bonds4

About (1R)-2,2,2-trifluoro-1-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)ethanamine

(1R)-2,2,2-trifluoro-1-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)ethanamine (PubChem CID 164523189) has the molecular formula C18H20F3NO and a molecular weight of 323.36 g/mol. Its IUPAC name is (1R)-2,2,2-trifluoro-1-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-2,2,2-trifluoro-1-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)ethanamine
PubChem CID164523189
Molecular FormulaC18H20F3NO
Molecular Weight323.36 g/mol
Exact Mass323.15
IUPAC Name(1R)-2,2,2-trifluoro-1-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)ethanamine
SMILESCOc1ccc([C@](N)(c2ccc(C(C)C)cc2)C(F)(F)F)cc1
InChIInChI=1S/C18H20F3NO/c1-12(2)13-4-6-14(7-5-13)17(22,18(19,20)21)15-8-10-16(23-3)11-9-15/h4-12H,22H2,1-3H3/t17-/m1/s1
InChIKeyFAFWDLMQYVZFPR-QGZVFWFLSA-N
XLogP4.58
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethanamine
CID 175254139
2,2,2-trifluoro-1-(4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 175254129
(1S)-1-(4-bromophenyl)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethanamine
CID 164523179
methanol;1-methoxy-4-[2-(4-propan-2-ylphenyl)propan-2-yl]benzene
CID 144743530
carbanide;1-methoxy-4-propan-2-ylbenzene;yttrium
CID 157263215
3-fluoro-3-(4-methoxyphenyl)butan-2-amine
CID 105450720
1,4-bis[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]benzene
CID 88568102
(2S)-1,1-bis(4-methoxyphenyl)propane-1,2-diamine
CID 58794752
(2R)-1,1-bis(4-methoxyphenyl)propane-1,2-diamine
CID 134991044
[4-(dimethylamino)phenyl]-(4-methoxyphenyl)-(4-propan-2-ylphenyl)methanol
CID 101076282
(2R)-1,1-bis(4-methoxyphenyl)-2,3-dimethylbutan-1-amine
CID 161003813
1,1-difluoro-1-(4-propan-2-ylphenyl)propan-2-amine
CID 116839228

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2,2-trifluoro-1-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)ethanamine?
The IUPAC name of (1R)-2,2,2-trifluoro-1-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)ethanamine (CID 164523189) is (1R)-2,2,2-trifluoro-1-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)ethanamine.
What is the SMILES notation for (1R)-2,2,2-trifluoro-1-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)ethanamine?
The canonical SMILES for (1R)-2,2,2-trifluoro-1-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)ethanamine is COc1ccc([C@](N)(c2ccc(C(C)C)cc2)C(F)(F)F)cc1.
What is the InChIKey of (1R)-2,2,2-trifluoro-1-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)ethanamine?
The InChIKey is FAFWDLMQYVZFPR-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H20F3NO/c1-12(2)13-4-6-14(7-5-13)17(22,18(19,20)21)15-8-10-16(23-3)11-9-15/h4-12H,22H2,1-3H3/t17-/m1/s1.
What are the key properties of (1R)-2,2,2-trifluoro-1-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)ethanamine?
(1R)-2,2,2-trifluoro-1-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)ethanamine has a molecular weight of 323.36 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2,2-trifluoro-1-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)ethanamine is sourced from PubChem (CID 164523189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).