4-[(2-hydroxycyclohexyl)-methylamino]-3-(trifluoromethyl)benzaldehyde

C15H18F3NO2 — CID 102632661

IUPAC4-[(2-hydroxycyclohexyl)-methylamino]-3-(trifluoromethyl)benzaldehyde
SMILESCN(c1ccc(C=O)cc1C(F)(F)F)C1CCCCC1O
InChIInChI=1S/C15H18F3NO2/c1-19(13-4-2-3-5-14(13)21)12-7-6-10(9-20)8-11(12)15(16,17)18/h6-9,13-14,21H,2-5H2,1H3
InChIKeyBVVTZIBLHSTZDH-UHFFFAOYSA-N
MW301.31 g/mol
LogP3.26
Rot. Bonds3

About 4-[(2-hydroxycyclohexyl)-methylamino]-3-(trifluoromethyl)benzaldehyde

4-[(2-hydroxycyclohexyl)-methylamino]-3-(trifluoromethyl)benzaldehyde (PubChem CID 102632661) has the molecular formula C15H18F3NO2 and a molecular weight of 301.31 g/mol. Its IUPAC name is 4-[(2-hydroxycyclohexyl)-methylamino]-3-(trifluoromethyl)benzaldehyde.

Molecular Properties

Compound Name4-[(2-hydroxycyclohexyl)-methylamino]-3-(trifluoromethyl)benzaldehyde
PubChem CID102632661
Molecular FormulaC15H18F3NO2
Molecular Weight301.31 g/mol
Exact Mass301.13
IUPAC Name4-[(2-hydroxycyclohexyl)-methylamino]-3-(trifluoromethyl)benzaldehyde
SMILESCN(c1ccc(C=O)cc1C(F)(F)F)C1CCCCC1O
InChIInChI=1S/C15H18F3NO2/c1-19(13-4-2-3-5-14(13)21)12-7-6-10(9-20)8-11(12)15(16,17)18/h6-9,13-14,21H,2-5H2,1H3
InChIKeyBVVTZIBLHSTZDH-UHFFFAOYSA-N
XLogP3.26
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-[(2-hydroxycyclohexyl)-methylamino]benzaldehyde
CID 102632644
6-[(2-hydroxycyclohexyl)-methylamino]pyridine-3-carbaldehyde
CID 102632652
4-[3-hydroxypropyl(methyl)amino]-3-(trifluoromethyl)benzaldehyde
CID 114230304
2-[(2-hydroxycyclohexyl)-methylamino]-5-(trifluoromethyl)benzonitrile
CID 102632167
4-[3-hydroxybutyl(methyl)amino]-3-(trifluoromethyl)benzaldehyde
CID 113499664
1-N-cycloheptyl-1-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine
CID 63402832
2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-methylamino]cyclohexan-1-ol
CID 106796748
[4-formyl-2-(trifluoromethyl)phenyl]boronic acid
CID 74892466
3-[4-formyl-2-(trifluoromethyl)phenoxy]-N,N-dimethylpropanamide
CID 63320392
2-(N-methyl-2,4-dinitroanilino)cyclohexan-1-ol
CID 102636088
5-amino-2-[(2-hydroxycyclohexyl)-methylamino]benzenesulfonamide
CID 102631363
2-[4-(hydroxymethyl)-N,2-dimethylanilino]cyclohexan-1-ol
CID 102632814

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxycyclohexyl)-methylamino]-3-(trifluoromethyl)benzaldehyde?
The IUPAC name of 4-[(2-hydroxycyclohexyl)-methylamino]-3-(trifluoromethyl)benzaldehyde (CID 102632661) is 4-[(2-hydroxycyclohexyl)-methylamino]-3-(trifluoromethyl)benzaldehyde.
What is the SMILES notation for 4-[(2-hydroxycyclohexyl)-methylamino]-3-(trifluoromethyl)benzaldehyde?
The canonical SMILES for 4-[(2-hydroxycyclohexyl)-methylamino]-3-(trifluoromethyl)benzaldehyde is CN(c1ccc(C=O)cc1C(F)(F)F)C1CCCCC1O.
What is the InChIKey of 4-[(2-hydroxycyclohexyl)-methylamino]-3-(trifluoromethyl)benzaldehyde?
The InChIKey is BVVTZIBLHSTZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO2/c1-19(13-4-2-3-5-14(13)21)12-7-6-10(9-20)8-11(12)15(16,17)18/h6-9,13-14,21H,2-5H2,1H3.
What are the key properties of 4-[(2-hydroxycyclohexyl)-methylamino]-3-(trifluoromethyl)benzaldehyde?
4-[(2-hydroxycyclohexyl)-methylamino]-3-(trifluoromethyl)benzaldehyde has a molecular weight of 301.31 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxycyclohexyl)-methylamino]-3-(trifluoromethyl)benzaldehyde is sourced from PubChem (CID 102632661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).