6-naphthalen-2-yl-N-(naphthalen-2-ylmethyl)-3-[4-(trifluoromethyl)phenyl]hex-5-en-2-amine

C34H30F3N — CID 70279599

IUPAC6-naphthalen-2-yl-N-(naphthalen-2-ylmethyl)-3-[4-(trifluoromethyl)phenyl]hex-5-en-2-amine
SMILESCC(NCc1ccc2ccccc2c1)C(CC=Cc1ccc2ccccc2c1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C34H30F3N/c1-24(38-23-26-14-16-28-9-3-5-11-31(28)22-26)33(29-17-19-32(20-18-29)34(35,36)37)12-6-7-25-13-15-27-8-2-4-10-30(27)21-25/h2-11,13-22,24,33,38H,12,23H2,1H3
InChIKeyXKQYSAOZTAKNDY-UHFFFAOYSA-N
MW509.62 g/mol
LogP9.38
Rot. Bonds8

About 6-naphthalen-2-yl-N-(naphthalen-2-ylmethyl)-3-[4-(trifluoromethyl)phenyl]hex-5-en-2-amine

6-naphthalen-2-yl-N-(naphthalen-2-ylmethyl)-3-[4-(trifluoromethyl)phenyl]hex-5-en-2-amine (PubChem CID 70279599) has the molecular formula C34H30F3N and a molecular weight of 509.62 g/mol. Its IUPAC name is 6-naphthalen-2-yl-N-(naphthalen-2-ylmethyl)-3-[4-(trifluoromethyl)phenyl]hex-5-en-2-amine.

Molecular Properties

Compound Name6-naphthalen-2-yl-N-(naphthalen-2-ylmethyl)-3-[4-(trifluoromethyl)phenyl]hex-5-en-2-amine
PubChem CID70279599
Molecular FormulaC34H30F3N
Molecular Weight509.62 g/mol
Exact Mass509.23
IUPAC Name6-naphthalen-2-yl-N-(naphthalen-2-ylmethyl)-3-[4-(trifluoromethyl)phenyl]hex-5-en-2-amine
SMILESCC(NCc1ccc2ccccc2c1)C(CC=Cc1ccc2ccccc2c1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C34H30F3N/c1-24(38-23-26-14-16-28-9-3-5-11-31(28)22-26)33(29-17-19-32(20-18-29)34(35,36)37)12-6-7-25-13-15-27-8-2-4-10-30(27)21-25/h2-11,13-22,24,33,38H,12,23H2,1H3
InChIKeyXKQYSAOZTAKNDY-UHFFFAOYSA-N
XLogP9.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.62
LogP ≤ 59.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 156419
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N-(4-Amino-butyl)-N'-pyren-1-ylmethyl-butane-1,4-diamine Trihydrochloride
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(1-Methyl-2-naphthalen-1-yl-ethyl)-(3-phenyl-propyl)-amine
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CID 15061889

Frequently Asked Questions

What is the IUPAC name of 6-naphthalen-2-yl-N-(naphthalen-2-ylmethyl)-3-[4-(trifluoromethyl)phenyl]hex-5-en-2-amine?
The IUPAC name of 6-naphthalen-2-yl-N-(naphthalen-2-ylmethyl)-3-[4-(trifluoromethyl)phenyl]hex-5-en-2-amine (CID 70279599) is 6-naphthalen-2-yl-N-(naphthalen-2-ylmethyl)-3-[4-(trifluoromethyl)phenyl]hex-5-en-2-amine.
What is the SMILES notation for 6-naphthalen-2-yl-N-(naphthalen-2-ylmethyl)-3-[4-(trifluoromethyl)phenyl]hex-5-en-2-amine?
The canonical SMILES for 6-naphthalen-2-yl-N-(naphthalen-2-ylmethyl)-3-[4-(trifluoromethyl)phenyl]hex-5-en-2-amine is CC(NCc1ccc2ccccc2c1)C(CC=Cc1ccc2ccccc2c1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 6-naphthalen-2-yl-N-(naphthalen-2-ylmethyl)-3-[4-(trifluoromethyl)phenyl]hex-5-en-2-amine?
The InChIKey is XKQYSAOZTAKNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30F3N/c1-24(38-23-26-14-16-28-9-3-5-11-31(28)22-26)33(29-17-19-32(20-18-29)34(35,36)37)12-6-7-25-13-15-27-8-2-4-10-30(27)21-25/h2-11,13-22,24,33,38H,12,23H2,1H3.
What are the key properties of 6-naphthalen-2-yl-N-(naphthalen-2-ylmethyl)-3-[4-(trifluoromethyl)phenyl]hex-5-en-2-amine?
6-naphthalen-2-yl-N-(naphthalen-2-ylmethyl)-3-[4-(trifluoromethyl)phenyl]hex-5-en-2-amine has a molecular weight of 509.62 g/mol, XLogP of 9.38, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-naphthalen-2-yl-N-(naphthalen-2-ylmethyl)-3-[4-(trifluoromethyl)phenyl]hex-5-en-2-amine is sourced from PubChem (CID 70279599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).