4-(3,4-dimethoxyanilino)cyclohexan-1-ol

C14H21NO3 — CID 82539356

IUPAC4-(3,4-dimethoxyanilino)cyclohexan-1-ol
SMILESCOc1ccc(NC2CCC(O)CC2)cc1OC
InChIInChI=1S/C14H21NO3/c1-17-13-8-5-11(9-14(13)18-2)15-10-3-6-12(16)7-4-10/h5,8-10,12,15-16H,3-4,6-7H2,1-2H3
InChIKeyJJAULDKSERMSCY-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.42
Rot. Bonds4

About 4-(3,4-dimethoxyanilino)cyclohexan-1-ol

4-(3,4-dimethoxyanilino)cyclohexan-1-ol (PubChem CID 82539356) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-(3,4-dimethoxyanilino)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(3,4-dimethoxyanilino)cyclohexan-1-ol
PubChem CID82539356
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name4-(3,4-dimethoxyanilino)cyclohexan-1-ol
SMILESCOc1ccc(NC2CCC(O)CC2)cc1OC
InChIInChI=1S/C14H21NO3/c1-17-13-8-5-11(9-14(13)18-2)15-10-3-6-12(16)7-4-10/h5,8-10,12,15-16H,3-4,6-7H2,1-2H3
InChIKeyJJAULDKSERMSCY-UHFFFAOYSA-N
XLogP2.42
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-(3-ethoxy-4-methoxyanilino)cyclohexan-1-ol
CID 106594039
4-(3-ethyl-4-methoxyanilino)cyclohexan-1-ol
CID 115149340
N-[4-[(4-hydroxycyclohexyl)amino]-2-methoxyphenyl]acetamide
CID 106593678
N-(3,4-dimethoxyphenyl)-4-propan-2-ylcycloheptan-1-amine
CID 65087618
N-cyclopentyl-3-ethoxy-4-methoxyaniline
CID 43729865
4-(5-bromo-2-methoxyanilino)cyclohexan-1-ol
CID 106594504
N-(3,4-dimethoxyphenyl)-1-phenylpiperidin-4-amine
CID 155758525
N-[4-(4-methoxy-3-propan-2-yloxyanilino)cyclohexyl]acetamide
CID 99635767
4-[4-ethoxy-3-(hydroxymethyl)anilino]cyclohexan-1-ol
CID 106594412
3-fluoro-4-methoxy-N-(4-methylcyclohexyl)aniline
CID 43380637
N-(3,4-dimethoxyphenyl)-2-methyloxolan-3-amine
CID 82716607
4-bromo-3-methoxy-N-(4-methoxycyclohexyl)aniline
CID 113414428

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyanilino)cyclohexan-1-ol?
The IUPAC name of 4-(3,4-dimethoxyanilino)cyclohexan-1-ol (CID 82539356) is 4-(3,4-dimethoxyanilino)cyclohexan-1-ol.
What is the SMILES notation for 4-(3,4-dimethoxyanilino)cyclohexan-1-ol?
The canonical SMILES for 4-(3,4-dimethoxyanilino)cyclohexan-1-ol is COc1ccc(NC2CCC(O)CC2)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyanilino)cyclohexan-1-ol?
The InChIKey is JJAULDKSERMSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-17-13-8-5-11(9-14(13)18-2)15-10-3-6-12(16)7-4-10/h5,8-10,12,15-16H,3-4,6-7H2,1-2H3.
What are the key properties of 4-(3,4-dimethoxyanilino)cyclohexan-1-ol?
4-(3,4-dimethoxyanilino)cyclohexan-1-ol has a molecular weight of 251.33 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyanilino)cyclohexan-1-ol is sourced from PubChem (CID 82539356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).