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

C23H22F3NO — CID 11545487

IUPAC(1R)-N-[[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1-phenylethanamine
SMILESCOc1ccc(CN[C@H](C)c2ccccc2)cc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H22F3NO/c1-16(18-6-4-3-5-7-18)27-15-17-8-13-22(28-2)21(14-17)19-9-11-20(12-10-19)23(24,25)26/h3-14,16,27H,15H2,1-2H3/t16-/m1/s1
InChIKeyJRFWKLXVTAAZAB-MRXNPFEDSA-N
MW385.43 g/mol
LogP6.23
Rot. Bonds6

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

(1R)-N-[[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1-phenylethanamine (PubChem CID 11545487) has the molecular formula C23H22F3NO and a molecular weight of 385.43 g/mol. Its IUPAC name is (1R)-N-[[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1-phenylethanamine.

Molecular Properties

Compound Name(1R)-N-[[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1-phenylethanamine
PubChem CID11545487
Molecular FormulaC23H22F3NO
Molecular Weight385.43 g/mol
Exact Mass385.17
IUPAC Name(1R)-N-[[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1-phenylethanamine
SMILESCOc1ccc(CN[C@H](C)c2ccccc2)cc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H22F3NO/c1-16(18-6-4-3-5-7-18)27-15-17-8-13-22(28-2)21(14-17)19-9-11-20(12-10-19)23(24,25)26/h3-14,16,27H,15H2,1-2H3/t16-/m1/s1
InChIKeyJRFWKLXVTAAZAB-MRXNPFEDSA-N
XLogP6.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.43
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-N-[[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1-phenylethanamine?
The IUPAC name of (1R)-N-[[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1-phenylethanamine (CID 11545487) is (1R)-N-[[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1-phenylethanamine.
What is the SMILES notation for (1R)-N-[[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1-phenylethanamine?
The canonical SMILES for (1R)-N-[[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1-phenylethanamine is COc1ccc(CN[C@H](C)c2ccccc2)cc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (1R)-N-[[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1-phenylethanamine?
The InChIKey is JRFWKLXVTAAZAB-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H22F3NO/c1-16(18-6-4-3-5-7-18)27-15-17-8-13-22(28-2)21(14-17)19-9-11-20(12-10-19)23(24,25)26/h3-14,16,27H,15H2,1-2H3/t16-/m1/s1.
What are the key properties of (1R)-N-[[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1-phenylethanamine?
(1R)-N-[[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1-phenylethanamine has a molecular weight of 385.43 g/mol, XLogP of 6.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1-phenylethanamine is sourced from PubChem (CID 11545487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).