(1R)-1-(3-fluorophenyl)-N-[[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine

C23H21F4NO — CID 10408861

IUPAC(1R)-1-(3-fluorophenyl)-N-[[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine
SMILESCOc1ccc(CN[C@H](C)c2cccc(F)c2)cc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H21F4NO/c1-15(18-4-3-5-20(24)13-18)28-14-16-6-11-22(29-2)21(12-16)17-7-9-19(10-8-17)23(25,26)27/h3-13,15,28H,14H2,1-2H3/t15-/m1/s1
InChIKeyVWINXACDKLTYJX-OAHLLOKOSA-N
MW403.42 g/mol
LogP6.37
Rot. Bonds6

About (1R)-1-(3-fluorophenyl)-N-[[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine

(1R)-1-(3-fluorophenyl)-N-[[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine (PubChem CID 10408861) has the molecular formula C23H21F4NO and a molecular weight of 403.42 g/mol. Its IUPAC name is (1R)-1-(3-fluorophenyl)-N-[[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(3-fluorophenyl)-N-[[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine
PubChem CID10408861
Molecular FormulaC23H21F4NO
Molecular Weight403.42 g/mol
Exact Mass403.16
IUPAC Name(1R)-1-(3-fluorophenyl)-N-[[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine
SMILESCOc1ccc(CN[C@H](C)c2cccc(F)c2)cc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H21F4NO/c1-15(18-4-3-5-20(24)13-18)28-14-16-6-11-22(29-2)21(12-16)17-7-9-19(10-8-17)23(25,26)27/h3-13,15,28H,14H2,1-2H3/t15-/m1/s1
InChIKeyVWINXACDKLTYJX-OAHLLOKOSA-N
XLogP6.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.42
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-fluorophenyl)-N-[[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine?
The IUPAC name of (1R)-1-(3-fluorophenyl)-N-[[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine (CID 10408861) is (1R)-1-(3-fluorophenyl)-N-[[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine.
What is the SMILES notation for (1R)-1-(3-fluorophenyl)-N-[[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine?
The canonical SMILES for (1R)-1-(3-fluorophenyl)-N-[[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine is COc1ccc(CN[C@H](C)c2cccc(F)c2)cc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (1R)-1-(3-fluorophenyl)-N-[[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine?
The InChIKey is VWINXACDKLTYJX-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H21F4NO/c1-15(18-4-3-5-20(24)13-18)28-14-16-6-11-22(29-2)21(12-16)17-7-9-19(10-8-17)23(25,26)27/h3-13,15,28H,14H2,1-2H3/t15-/m1/s1.
What are the key properties of (1R)-1-(3-fluorophenyl)-N-[[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine?
(1R)-1-(3-fluorophenyl)-N-[[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine has a molecular weight of 403.42 g/mol, XLogP of 6.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-fluorophenyl)-N-[[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine is sourced from PubChem (CID 10408861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).