6-[(4-methylcyclohexyl)amino]-5-(trifluoromethyl)naphthalene-2-carbaldehyde

C19H20F3NO — CID 90051213

IUPAC6-[(4-methylcyclohexyl)amino]-5-(trifluoromethyl)naphthalene-2-carbaldehyde
SMILESCC1CCC(Nc2ccc3cc(C=O)ccc3c2C(F)(F)F)CC1
InChIInChI=1S/C19H20F3NO/c1-12-2-6-15(7-3-12)23-17-9-5-14-10-13(11-24)4-8-16(14)18(17)19(20,21)22/h4-5,8-12,15,23H,2-3,6-7H2,1H3
InChIKeyDAXOBQGDBADRRK-UHFFFAOYSA-N
MW335.37 g/mol
LogP5.66
Rot. Bonds3

About 6-[(4-methylcyclohexyl)amino]-5-(trifluoromethyl)naphthalene-2-carbaldehyde

6-[(4-methylcyclohexyl)amino]-5-(trifluoromethyl)naphthalene-2-carbaldehyde (PubChem CID 90051213) has the molecular formula C19H20F3NO and a molecular weight of 335.37 g/mol. Its IUPAC name is 6-[(4-methylcyclohexyl)amino]-5-(trifluoromethyl)naphthalene-2-carbaldehyde.

Molecular Properties

Compound Name6-[(4-methylcyclohexyl)amino]-5-(trifluoromethyl)naphthalene-2-carbaldehyde
PubChem CID90051213
Molecular FormulaC19H20F3NO
Molecular Weight335.37 g/mol
Exact Mass335.15
IUPAC Name6-[(4-methylcyclohexyl)amino]-5-(trifluoromethyl)naphthalene-2-carbaldehyde
SMILESCC1CCC(Nc2ccc3cc(C=O)ccc3c2C(F)(F)F)CC1
InChIInChI=1S/C19H20F3NO/c1-12-2-6-15(7-3-12)23-17-9-5-14-10-13(11-24)4-8-16(14)18(17)19(20,21)22/h4-5,8-12,15,23H,2-3,6-7H2,1H3
InChIKeyDAXOBQGDBADRRK-UHFFFAOYSA-N
XLogP5.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.37
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-methylcyclohexyl)amino]-5-(trifluoromethyl)naphthalene-2-carbaldehyde?
The IUPAC name of 6-[(4-methylcyclohexyl)amino]-5-(trifluoromethyl)naphthalene-2-carbaldehyde (CID 90051213) is 6-[(4-methylcyclohexyl)amino]-5-(trifluoromethyl)naphthalene-2-carbaldehyde.
What is the SMILES notation for 6-[(4-methylcyclohexyl)amino]-5-(trifluoromethyl)naphthalene-2-carbaldehyde?
The canonical SMILES for 6-[(4-methylcyclohexyl)amino]-5-(trifluoromethyl)naphthalene-2-carbaldehyde is CC1CCC(Nc2ccc3cc(C=O)ccc3c2C(F)(F)F)CC1.
What is the InChIKey of 6-[(4-methylcyclohexyl)amino]-5-(trifluoromethyl)naphthalene-2-carbaldehyde?
The InChIKey is DAXOBQGDBADRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO/c1-12-2-6-15(7-3-12)23-17-9-5-14-10-13(11-24)4-8-16(14)18(17)19(20,21)22/h4-5,8-12,15,23H,2-3,6-7H2,1H3.
What are the key properties of 6-[(4-methylcyclohexyl)amino]-5-(trifluoromethyl)naphthalene-2-carbaldehyde?
6-[(4-methylcyclohexyl)amino]-5-(trifluoromethyl)naphthalene-2-carbaldehyde has a molecular weight of 335.37 g/mol, XLogP of 5.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methylcyclohexyl)amino]-5-(trifluoromethyl)naphthalene-2-carbaldehyde is sourced from PubChem (CID 90051213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).