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

C14H18ClNO2 — CID 102632644

IUPAC3-chloro-4-[(2-hydroxycyclohexyl)-methylamino]benzaldehyde
SMILESCN(c1ccc(C=O)cc1Cl)C1CCCCC1O
InChIInChI=1S/C14H18ClNO2/c1-16(13-4-2-3-5-14(13)18)12-7-6-10(9-17)8-11(12)15/h6-9,13-14,18H,2-5H2,1H3
InChIKeyDMTVIUDYNXXFCK-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.89
Rot. Bonds3

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

3-chloro-4-[(2-hydroxycyclohexyl)-methylamino]benzaldehyde (PubChem CID 102632644) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 3-chloro-4-[(2-hydroxycyclohexyl)-methylamino]benzaldehyde.

Molecular Properties

Compound Name3-chloro-4-[(2-hydroxycyclohexyl)-methylamino]benzaldehyde
PubChem CID102632644
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name3-chloro-4-[(2-hydroxycyclohexyl)-methylamino]benzaldehyde
SMILESCN(c1ccc(C=O)cc1Cl)C1CCCCC1O
InChIInChI=1S/C14H18ClNO2/c1-16(13-4-2-3-5-14(13)18)12-7-6-10(9-17)8-11(12)15/h6-9,13-14,18H,2-5H2,1H3
InChIKeyDMTVIUDYNXXFCK-UHFFFAOYSA-N
XLogP2.89
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.89
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

4-[(2-hydroxycyclohexyl)-methylamino]-3-(trifluoromethyl)benzaldehyde
CID 102632661
3-chloro-4-[(4,4-dimethylcyclohexyl)-methylamino]benzaldehyde
CID 81145715
(E)-3-[3-chloro-4-[methyl-(2-methylcyclohexyl)amino]phenyl]prop-2-enoic acid
CID 81151736
3-chloro-N'-hydroxy-4-[(2-hydroxycyclohexyl)-methylamino]benzenecarboximidamide
CID 102632381
6-[(2-hydroxycyclohexyl)-methylamino]pyridine-3-carbaldehyde
CID 102632652
2-[2-chloro-4-[(cyclopropylamino)methyl]-N-methylanilino]cyclohexan-1-ol
CID 102633000
3-chloro-4-[cyclopentyl(2-hydroxyethyl)amino]benzaldehyde
CID 81145443
3-chloro-4-(N,4-dimethylanilino)benzaldehyde
CID 81146280
2-[(3,6-dichloropyridazin-4-yl)-methylamino]cyclohexan-1-ol
CID 102633855
3-chloro-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzaldehyde
CID 81145950
3-chloro-4-[cyclopropyl(2-methylpropyl)amino]benzaldehyde
CID 81145699
2-(N-methyl-2,4-dinitroanilino)cyclohexan-1-ol
CID 102636088

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(2-hydroxycyclohexyl)-methylamino]benzaldehyde?
The IUPAC name of 3-chloro-4-[(2-hydroxycyclohexyl)-methylamino]benzaldehyde (CID 102632644) is 3-chloro-4-[(2-hydroxycyclohexyl)-methylamino]benzaldehyde.
What is the SMILES notation for 3-chloro-4-[(2-hydroxycyclohexyl)-methylamino]benzaldehyde?
The canonical SMILES for 3-chloro-4-[(2-hydroxycyclohexyl)-methylamino]benzaldehyde is CN(c1ccc(C=O)cc1Cl)C1CCCCC1O.
What is the InChIKey of 3-chloro-4-[(2-hydroxycyclohexyl)-methylamino]benzaldehyde?
The InChIKey is DMTVIUDYNXXFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-16(13-4-2-3-5-14(13)18)12-7-6-10(9-17)8-11(12)15/h6-9,13-14,18H,2-5H2,1H3.
What are the key properties of 3-chloro-4-[(2-hydroxycyclohexyl)-methylamino]benzaldehyde?
3-chloro-4-[(2-hydroxycyclohexyl)-methylamino]benzaldehyde has a molecular weight of 267.76 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(2-hydroxycyclohexyl)-methylamino]benzaldehyde is sourced from PubChem (CID 102632644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).