4-(2-amino-4-methoxyanilino)cyclohexan-1-ol

C13H20N2O2 — CID 18509700

IUPAC4-(2-amino-4-methoxyanilino)cyclohexan-1-ol
SMILESCOc1ccc(NC2CCC(O)CC2)c(N)c1
InChIInChI=1S/C13H20N2O2/c1-17-11-6-7-13(12(14)8-11)15-9-2-4-10(16)5-3-9/h6-10,15-16H,2-5,14H2,1H3
InChIKeyGAGSASUQKOEKKG-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.99
Rot. Bonds3

About 4-(2-amino-4-methoxyanilino)cyclohexan-1-ol

4-(2-amino-4-methoxyanilino)cyclohexan-1-ol (PubChem CID 18509700) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-(2-amino-4-methoxyanilino)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(2-amino-4-methoxyanilino)cyclohexan-1-ol
PubChem CID18509700
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name4-(2-amino-4-methoxyanilino)cyclohexan-1-ol
SMILESCOc1ccc(NC2CCC(O)CC2)c(N)c1
InChIInChI=1S/C13H20N2O2/c1-17-11-6-7-13(12(14)8-11)15-9-2-4-10(16)5-3-9/h6-10,15-16H,2-5,14H2,1H3
InChIKeyGAGSASUQKOEKKG-UHFFFAOYSA-N
XLogP1.99
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-fluoro-5-methoxyanilino)cyclohexan-1-ol
CID 106594816
4-(2-amino-4-chloroanilino)cyclohexan-1-ol
CID 18509767
2-amino-N-(4-hydroxycyclohexyl)-4-methoxybenzenesulfonamide
CID 29037342
3-[(2-amino-4-methoxyanilino)methyl]cyclopentan-1-ol
CID 106119533
1-N-cyclopropyl-4-methylbenzene-1,2-diamine
CID 43349417
2-bromo-N-cyclopropyl-5-methoxyaniline
CID 103439281
2-hydrazinyl-5-methoxyaniline
CID 119013430
1-N-cyclopropyl-4-methylbenzene-1,2-diamine;ethane
CID 162380718
N-cyclopentyl-4-methoxy-2-methylaniline
CID 62867512
4-[2-amino-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]cyclohexan-1-ol
CID 134457385
N-(2-amino-4-methoxyphenyl)cyclobutanecarboxamide
CID 16774141
4-[2-amino-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]cyclohexan-1-ol;ethane
CID 142331207

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-4-methoxyanilino)cyclohexan-1-ol?
The IUPAC name of 4-(2-amino-4-methoxyanilino)cyclohexan-1-ol (CID 18509700) is 4-(2-amino-4-methoxyanilino)cyclohexan-1-ol.
What is the SMILES notation for 4-(2-amino-4-methoxyanilino)cyclohexan-1-ol?
The canonical SMILES for 4-(2-amino-4-methoxyanilino)cyclohexan-1-ol is COc1ccc(NC2CCC(O)CC2)c(N)c1.
What is the InChIKey of 4-(2-amino-4-methoxyanilino)cyclohexan-1-ol?
The InChIKey is GAGSASUQKOEKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-17-11-6-7-13(12(14)8-11)15-9-2-4-10(16)5-3-9/h6-10,15-16H,2-5,14H2,1H3.
What are the key properties of 4-(2-amino-4-methoxyanilino)cyclohexan-1-ol?
4-(2-amino-4-methoxyanilino)cyclohexan-1-ol has a molecular weight of 236.31 g/mol, XLogP of 1.99, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-4-methoxyanilino)cyclohexan-1-ol is sourced from PubChem (CID 18509700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).