N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]-N-tritylpropan-1-amine

C41H36F3N — CID 141473778

IUPACN-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]-N-tritylpropan-1-amine
SMILESC[C@H](c1cccc2ccccc12)N(CCCc1cccc(C(F)(F)F)c1)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C41H36F3N/c1-31(38-28-14-19-33-18-11-12-27-39(33)38)45(29-15-17-32-16-13-26-37(30-32)41(42,43)44)40(34-20-5-2-6-21-34,35-22-7-3-8-23-35)36-24-9-4-10-25-36/h2-14,16,18-28,30-31H,15,17,29H2,1H3/t31-/m1/s1
InChIKeyAXBLNNDYYDUXAE-WJOKGBTCSA-N
MW599.74 g/mol
LogP10.85
Rot. Bonds10

About N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]-N-tritylpropan-1-amine

N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]-N-tritylpropan-1-amine (PubChem CID 141473778) has the molecular formula C41H36F3N and a molecular weight of 599.74 g/mol. Its IUPAC name is N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]-N-tritylpropan-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]-N-tritylpropan-1-amine
PubChem CID141473778
Molecular FormulaC41H36F3N
Molecular Weight599.74 g/mol
Exact Mass599.28
IUPAC NameN-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]-N-tritylpropan-1-amine
SMILESC[C@H](c1cccc2ccccc12)N(CCCc1cccc(C(F)(F)F)c1)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C41H36F3N/c1-31(38-28-14-19-33-18-11-12-27-39(33)38)45(29-15-17-32-16-13-26-37(30-32)41(42,43)44)40(34-20-5-2-6-21-34,35-22-7-3-8-23-35)36-24-9-4-10-25-36/h2-14,16,18-28,30-31H,15,17,29H2,1H3/t31-/m1/s1
InChIKeyAXBLNNDYYDUXAE-WJOKGBTCSA-N
XLogP10.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.74
LogP ≤ 510.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

Cinacalcet
CID 156419
Naftifine
CID 47641
Cinacalcet Hydrochloride
CID 156418
Xaliproden
CID 128919
Naftifine Hydrochloride
CID 5281098
Xaliproden Hydrochloride
CID 128918
N-(1-naphthalen-1-ylethyl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 6101856
N-methyl(1-naphthyl)-N-(1-naphthylmethyl)methanamine
CID 223156
N-methyl-N-(1-naphthalenylmethyl)-3-phenyl-2-propen-1-amine
CID 73342
(2S)-5-naphthalen-1-yl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 46233450
(Z)-N-methyl-N-(naphthalen-1-ylmethyl)-3-phenylprop-2-en-1-amine
CID 6604425
Mcl-0042
CID 9917301

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]-N-tritylpropan-1-amine?
The IUPAC name of N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]-N-tritylpropan-1-amine (CID 141473778) is N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]-N-tritylpropan-1-amine.
What is the SMILES notation for N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]-N-tritylpropan-1-amine?
The canonical SMILES for N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]-N-tritylpropan-1-amine is C[C@H](c1cccc2ccccc12)N(CCCc1cccc(C(F)(F)F)c1)C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]-N-tritylpropan-1-amine?
The InChIKey is AXBLNNDYYDUXAE-WJOKGBTCSA-N. The full InChI is InChI=1S/C41H36F3N/c1-31(38-28-14-19-33-18-11-12-27-39(33)38)45(29-15-17-32-16-13-26-37(30-32)41(42,43)44)40(34-20-5-2-6-21-34,35-22-7-3-8-23-35)36-24-9-4-10-25-36/h2-14,16,18-28,30-31H,15,17,29H2,1H3/t31-/m1/s1.
What are the key properties of N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]-N-tritylpropan-1-amine?
N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]-N-tritylpropan-1-amine has a molecular weight of 599.74 g/mol, XLogP of 10.85, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]-N-tritylpropan-1-amine is sourced from PubChem (CID 141473778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).