3-methyl-2-naphthalen-1-yl-N-[3-[3-(trifluoromethyl)phenyl]propyl]azirin-2-amine

C23H21F3N2 — CID 123243803

IUPAC3-methyl-2-naphthalen-1-yl-N-[3-[3-(trifluoromethyl)phenyl]propyl]azirin-2-amine
SMILESCC1=NC1(NCCCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12
InChIInChI=1S/C23H21F3N2/c1-16-22(28-16,21-13-5-10-18-9-2-3-12-20(18)21)27-14-6-8-17-7-4-11-19(15-17)23(24,25)26/h2-5,7,9-13,15,27H,6,8,14H2,1H3
InChIKeyQWOBXPHIHPJVRU-UHFFFAOYSA-N
MW382.43 g/mol
LogP5.71
Rot. Bonds6

About 3-methyl-2-naphthalen-1-yl-N-[3-[3-(trifluoromethyl)phenyl]propyl]azirin-2-amine

3-methyl-2-naphthalen-1-yl-N-[3-[3-(trifluoromethyl)phenyl]propyl]azirin-2-amine (PubChem CID 123243803) has the molecular formula C23H21F3N2 and a molecular weight of 382.43 g/mol. Its IUPAC name is 3-methyl-2-naphthalen-1-yl-N-[3-[3-(trifluoromethyl)phenyl]propyl]azirin-2-amine.

Molecular Properties

Compound Name3-methyl-2-naphthalen-1-yl-N-[3-[3-(trifluoromethyl)phenyl]propyl]azirin-2-amine
PubChem CID123243803
Molecular FormulaC23H21F3N2
Molecular Weight382.43 g/mol
Exact Mass382.17
IUPAC Name3-methyl-2-naphthalen-1-yl-N-[3-[3-(trifluoromethyl)phenyl]propyl]azirin-2-amine
SMILESCC1=NC1(NCCCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12
InChIInChI=1S/C23H21F3N2/c1-16-22(28-16,21-13-5-10-18-9-2-3-12-20(18)21)27-14-6-8-17-7-4-11-19(15-17)23(24,25)26/h2-5,7,9-13,15,27H,6,8,14H2,1H3
InChIKeyQWOBXPHIHPJVRU-UHFFFAOYSA-N
XLogP5.71
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.43
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Cinacalcet
CID 156419
Cinacalcet Hydrochloride
CID 156418
N-(1-naphthalen-1-ylethyl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 6101856
2-(2-fluorophenyl)-N-(naphthalen-1-ylmethyl)ethanamine
CID 1817775
N-[(1S)-1-(1-Naphthyl)ethyl]-3-[3-(trifluoromethyl)phenyl]-1-propanamine hydrochloride
CID 46781027
1-(3-Amino-2,2-dimethylpropyl)-3-(1-naphthalen-1-ylethyl)-1-[[2-(trifluoromethyl)phenyl]methyl]urea
CID 172435103
Benzyl[(R)-1-(1-naphthyl)ethyl]amine
CID 9881660
(S)-N-(1-(naphthalen-1-yl)ethyl)-3-(3-(trifluoromethyl)phenyl)propan-1-amine
CID 42104705
3-(3-(Trifluoromethl)phenyl-N-(R)-1-(naphthalen-1-yl)ethyl)prop-2-en-1-amine
CID 46194726
N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]prop-2-yn-1-amine
CID 59562973
Hexahydrophenyl Cinacalcet
CID 67997803
(2R)-2-fluoro-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 70677067

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-naphthalen-1-yl-N-[3-[3-(trifluoromethyl)phenyl]propyl]azirin-2-amine?
The IUPAC name of 3-methyl-2-naphthalen-1-yl-N-[3-[3-(trifluoromethyl)phenyl]propyl]azirin-2-amine (CID 123243803) is 3-methyl-2-naphthalen-1-yl-N-[3-[3-(trifluoromethyl)phenyl]propyl]azirin-2-amine.
What is the SMILES notation for 3-methyl-2-naphthalen-1-yl-N-[3-[3-(trifluoromethyl)phenyl]propyl]azirin-2-amine?
The canonical SMILES for 3-methyl-2-naphthalen-1-yl-N-[3-[3-(trifluoromethyl)phenyl]propyl]azirin-2-amine is CC1=NC1(NCCCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12.
What is the InChIKey of 3-methyl-2-naphthalen-1-yl-N-[3-[3-(trifluoromethyl)phenyl]propyl]azirin-2-amine?
The InChIKey is QWOBXPHIHPJVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N2/c1-16-22(28-16,21-13-5-10-18-9-2-3-12-20(18)21)27-14-6-8-17-7-4-11-19(15-17)23(24,25)26/h2-5,7,9-13,15,27H,6,8,14H2,1H3.
What are the key properties of 3-methyl-2-naphthalen-1-yl-N-[3-[3-(trifluoromethyl)phenyl]propyl]azirin-2-amine?
3-methyl-2-naphthalen-1-yl-N-[3-[3-(trifluoromethyl)phenyl]propyl]azirin-2-amine has a molecular weight of 382.43 g/mol, XLogP of 5.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-naphthalen-1-yl-N-[3-[3-(trifluoromethyl)phenyl]propyl]azirin-2-amine is sourced from PubChem (CID 123243803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).