N-methyl-N-[(1S)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-1-phenylethanamine

C19H22F3N — CID 59711097

IUPACN-methyl-N-[(1S)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-1-phenylethanamine
SMILESCc1cc([C@H](C)N(C)C(C)c2ccccc2)cc(C(F)(F)F)c1
InChIInChI=1S/C19H22F3N/c1-13-10-17(12-18(11-13)19(20,21)22)15(3)23(4)14(2)16-8-6-5-7-9-16/h5-12,14-15H,1-4H3/t14?,15-/m0/s1
InChIKeyYOSASPNPBBVKOG-LOACHALJSA-N
MW321.39 g/mol
LogP5.77
Rot. Bonds4

About N-methyl-N-[(1S)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-1-phenylethanamine

N-methyl-N-[(1S)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-1-phenylethanamine (PubChem CID 59711097) has the molecular formula C19H22F3N and a molecular weight of 321.39 g/mol. Its IUPAC name is N-methyl-N-[(1S)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-1-phenylethanamine.

Molecular Properties

Compound NameN-methyl-N-[(1S)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-1-phenylethanamine
PubChem CID59711097
Molecular FormulaC19H22F3N
Molecular Weight321.39 g/mol
Exact Mass321.17
IUPAC NameN-methyl-N-[(1S)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-1-phenylethanamine
SMILESCc1cc([C@H](C)N(C)C(C)c2ccccc2)cc(C(F)(F)F)c1
InChIInChI=1S/C19H22F3N/c1-13-10-17(12-18(11-13)19(20,21)22)15(3)23(4)14(2)16-8-6-5-7-9-16/h5-12,14-15H,1-4H3/t14?,15-/m0/s1
InChIKeyYOSASPNPBBVKOG-LOACHALJSA-N
XLogP5.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.39
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-N-[(1S)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-1-phenylethanamine;sulfane
CID 159193916
N-[(1S)-1-(3-fluoro-5-methylphenyl)ethyl]-N-methyl-1-phenylethanamine
CID 58819068
1-methyl-3-phenyl-5-(trifluoromethyl)benzene
CID 46315073
[3-methyl-5-(trifluoromethyl)phenyl]methanediamine
CID 156527532
N-[1-[3-chloro-5-(trifluoromethyl)phenyl]ethyl]-N-methylpropan-2-amine
CID 123426290
(1S)-N-ethyl-1-[3-methyl-5-(trifluoromethyl)phenyl]ethanamine
CID 58900711
N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-1-phenylethanamine
CID 89273186
N-methyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]butan-2-amine
CID 143698340
[3-methyl-5-(trifluoromethyl)phenyl]-diphenylphosphane
CID 19764736
1,3-dimethyl-5-(trifluoromethyl)benzene;ethane
CID 143497301
1-phenyl-3-propan-2-yl-5-(trifluoromethyl)benzene
CID 167251693
[3-methyl-5-(trifluoromethyl)phenyl]-triphenylboranuide
CID 158071120

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1S)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-1-phenylethanamine?
The IUPAC name of N-methyl-N-[(1S)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-1-phenylethanamine (CID 59711097) is N-methyl-N-[(1S)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-1-phenylethanamine.
What is the SMILES notation for N-methyl-N-[(1S)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-1-phenylethanamine?
The canonical SMILES for N-methyl-N-[(1S)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-1-phenylethanamine is Cc1cc([C@H](C)N(C)C(C)c2ccccc2)cc(C(F)(F)F)c1.
What is the InChIKey of N-methyl-N-[(1S)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-1-phenylethanamine?
The InChIKey is YOSASPNPBBVKOG-LOACHALJSA-N. The full InChI is InChI=1S/C19H22F3N/c1-13-10-17(12-18(11-13)19(20,21)22)15(3)23(4)14(2)16-8-6-5-7-9-16/h5-12,14-15H,1-4H3/t14?,15-/m0/s1.
What are the key properties of N-methyl-N-[(1S)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-1-phenylethanamine?
N-methyl-N-[(1S)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-1-phenylethanamine has a molecular weight of 321.39 g/mol, XLogP of 5.77, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1S)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-1-phenylethanamine is sourced from PubChem (CID 59711097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).