4-(2,4-dimethoxy-N-methylanilino)cyclohexan-1-ol

C15H23NO3 — CID 115149418

IUPAC4-(2,4-dimethoxy-N-methylanilino)cyclohexan-1-ol
SMILESCOc1ccc(N(C)C2CCC(O)CC2)c(OC)c1
InChIInChI=1S/C15H23NO3/c1-16(11-4-6-12(17)7-5-11)14-9-8-13(18-2)10-15(14)19-3/h8-12,17H,4-7H2,1-3H3
InChIKeyMHUXUPMLEFADBW-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.44
Rot. Bonds4

About 4-(2,4-dimethoxy-N-methylanilino)cyclohexan-1-ol

4-(2,4-dimethoxy-N-methylanilino)cyclohexan-1-ol (PubChem CID 115149418) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 4-(2,4-dimethoxy-N-methylanilino)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(2,4-dimethoxy-N-methylanilino)cyclohexan-1-ol
PubChem CID115149418
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name4-(2,4-dimethoxy-N-methylanilino)cyclohexan-1-ol
SMILESCOc1ccc(N(C)C2CCC(O)CC2)c(OC)c1
InChIInChI=1S/C15H23NO3/c1-16(11-4-6-12(17)7-5-11)14-9-8-13(18-2)10-15(14)19-3/h8-12,17H,4-7H2,1-3H3
InChIKeyMHUXUPMLEFADBW-UHFFFAOYSA-N
XLogP2.44
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
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-chloro-4-methoxy-N-methylanilino)cyclohexan-1-ol
CID 115149405
N-ethyl-2,4-dimethoxy-N-methylaniline
CID 115259289
4-(2-methoxy-N,4,6-trimethylanilino)cyclohexan-1-ol
CID 115149449
2,4-dimethoxy-N-methyl-N-phenylaniline
CID 122399149
7-(2,4-dimethoxyphenyl)bicyclo[4.1.0]heptan-7-ol
CID 79331273
N-(2-fluoro-4-methoxyphenyl)-N,1-dimethylpiperidin-4-amine
CID 110454587
N-cyclobutyl-2-methoxy-N-methylaniline
CID 142063552
N-(2,4-dimethoxyphenyl)-2-hydroxy-N,2-dimethylpropanamide
CID 115178639
2-[cyclopropyl(methyl)amino]-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol
CID 79247998
N-(chloromethyl)-2,4-dimethoxy-N-methylaniline
CID 115262832
3-(2,4-dimethoxy-N-methylanilino)-2-methyl-3-oxopropanoic acid
CID 115164190
N,N'-bis(2,4-dimethoxyphenyl)cyclopropanecarbohydrazide
CID 57050422

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethoxy-N-methylanilino)cyclohexan-1-ol?
The IUPAC name of 4-(2,4-dimethoxy-N-methylanilino)cyclohexan-1-ol (CID 115149418) is 4-(2,4-dimethoxy-N-methylanilino)cyclohexan-1-ol.
What is the SMILES notation for 4-(2,4-dimethoxy-N-methylanilino)cyclohexan-1-ol?
The canonical SMILES for 4-(2,4-dimethoxy-N-methylanilino)cyclohexan-1-ol is COc1ccc(N(C)C2CCC(O)CC2)c(OC)c1.
What is the InChIKey of 4-(2,4-dimethoxy-N-methylanilino)cyclohexan-1-ol?
The InChIKey is MHUXUPMLEFADBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-16(11-4-6-12(17)7-5-11)14-9-8-13(18-2)10-15(14)19-3/h8-12,17H,4-7H2,1-3H3.
What are the key properties of 4-(2,4-dimethoxy-N-methylanilino)cyclohexan-1-ol?
4-(2,4-dimethoxy-N-methylanilino)cyclohexan-1-ol has a molecular weight of 265.35 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethoxy-N-methylanilino)cyclohexan-1-ol is sourced from PubChem (CID 115149418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).