(1R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-1-naphthalen-1-ylethanamine

C22H19F6N — CID 72708723

IUPAC(1R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-1-naphthalen-1-ylethanamine
SMILESC[C@H](c1cccc2ccccc12)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C22H19F6N/c1-14(19-9-5-7-16-6-3-4-8-20(16)19)29(2)13-15-10-17(21(23,24)25)12-18(11-15)22(26,27)28/h3-12,14H,13H2,1-2H3/t14-/m1/s1
InChIKeyYFJWWGICLHMPTC-CQSZACIVSA-N
MW411.39 g/mol
LogP7.07
Rot. Bonds4

About (1R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-1-naphthalen-1-ylethanamine

(1R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-1-naphthalen-1-ylethanamine (PubChem CID 72708723) has the molecular formula C22H19F6N and a molecular weight of 411.39 g/mol. Its IUPAC name is (1R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-1-naphthalen-1-ylethanamine.

Molecular Properties

Compound Name(1R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-1-naphthalen-1-ylethanamine
PubChem CID72708723
Molecular FormulaC22H19F6N
Molecular Weight411.39 g/mol
Exact Mass411.14
IUPAC Name(1R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-1-naphthalen-1-ylethanamine
SMILESC[C@H](c1cccc2ccccc12)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C22H19F6N/c1-14(19-9-5-7-16-6-3-4-8-20(16)19)29(2)13-15-10-17(21(23,24)25)12-18(11-15)22(26,27)28/h3-12,14H,13H2,1-2H3/t14-/m1/s1
InChIKeyYFJWWGICLHMPTC-CQSZACIVSA-N
XLogP7.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.39
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-1-naphthalen-1-ylethanamine?
The IUPAC name of (1R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-1-naphthalen-1-ylethanamine (CID 72708723) is (1R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-1-naphthalen-1-ylethanamine.
What is the SMILES notation for (1R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-1-naphthalen-1-ylethanamine?
The canonical SMILES for (1R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-1-naphthalen-1-ylethanamine is C[C@H](c1cccc2ccccc12)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of (1R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-1-naphthalen-1-ylethanamine?
The InChIKey is YFJWWGICLHMPTC-CQSZACIVSA-N. The full InChI is InChI=1S/C22H19F6N/c1-14(19-9-5-7-16-6-3-4-8-20(16)19)29(2)13-15-10-17(21(23,24)25)12-18(11-15)22(26,27)28/h3-12,14H,13H2,1-2H3/t14-/m1/s1.
What are the key properties of (1R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-1-naphthalen-1-ylethanamine?
(1R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-1-naphthalen-1-ylethanamine has a molecular weight of 411.39 g/mol, XLogP of 7.07, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-1-naphthalen-1-ylethanamine is sourced from PubChem (CID 72708723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).