2-[(4-amino-3-methoxyanilino)methyl]cyclohexan-1-ol

C14H22N2O2 — CID 64928032

IUPAC2-[(4-amino-3-methoxyanilino)methyl]cyclohexan-1-ol
SMILESCOc1cc(NCC2CCCCC2O)ccc1N
InChIInChI=1S/C14H22N2O2/c1-18-14-8-11(6-7-12(14)15)16-9-10-4-2-3-5-13(10)17/h6-8,10,13,16-17H,2-5,9,15H2,1H3
InChIKeyOQTKQFWDBVKRME-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.24
Rot. Bonds4

About 2-[(4-amino-3-methoxyanilino)methyl]cyclohexan-1-ol

2-[(4-amino-3-methoxyanilino)methyl]cyclohexan-1-ol (PubChem CID 64928032) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-[(4-amino-3-methoxyanilino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(4-amino-3-methoxyanilino)methyl]cyclohexan-1-ol
PubChem CID64928032
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-[(4-amino-3-methoxyanilino)methyl]cyclohexan-1-ol
SMILESCOc1cc(NCC2CCCCC2O)ccc1N
InChIInChI=1S/C14H22N2O2/c1-18-14-8-11(6-7-12(14)15)16-9-10-4-2-3-5-13(10)17/h6-8,10,13,16-17H,2-5,9,15H2,1H3
InChIKeyOQTKQFWDBVKRME-UHFFFAOYSA-N
XLogP2.24
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-3-methoxyanilino)methyl]cyclohexan-1-ol?
The IUPAC name of 2-[(4-amino-3-methoxyanilino)methyl]cyclohexan-1-ol (CID 64928032) is 2-[(4-amino-3-methoxyanilino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[(4-amino-3-methoxyanilino)methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[(4-amino-3-methoxyanilino)methyl]cyclohexan-1-ol is COc1cc(NCC2CCCCC2O)ccc1N.
What is the InChIKey of 2-[(4-amino-3-methoxyanilino)methyl]cyclohexan-1-ol?
The InChIKey is OQTKQFWDBVKRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-18-14-8-11(6-7-12(14)15)16-9-10-4-2-3-5-13(10)17/h6-8,10,13,16-17H,2-5,9,15H2,1H3.
What are the key properties of 2-[(4-amino-3-methoxyanilino)methyl]cyclohexan-1-ol?
2-[(4-amino-3-methoxyanilino)methyl]cyclohexan-1-ol has a molecular weight of 250.34 g/mol, XLogP of 2.24, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-3-methoxyanilino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 64928032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).