2-[(4-aminoanilino)methyl]cyclohexan-1-ol

C13H20N2O — CID 64930000

IUPAC2-[(4-aminoanilino)methyl]cyclohexan-1-ol
SMILESNc1ccc(NCC2CCCCC2O)cc1
InChIInChI=1S/C13H20N2O/c14-11-5-7-12(8-6-11)15-9-10-3-1-2-4-13(10)16/h5-8,10,13,15-16H,1-4,9,14H2
InChIKeyBIKVHUZKEVJTAY-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.23
Rot. Bonds3

About 2-[(4-aminoanilino)methyl]cyclohexan-1-ol

2-[(4-aminoanilino)methyl]cyclohexan-1-ol (PubChem CID 64930000) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-[(4-aminoanilino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(4-aminoanilino)methyl]cyclohexan-1-ol
PubChem CID64930000
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-[(4-aminoanilino)methyl]cyclohexan-1-ol
SMILESNc1ccc(NCC2CCCCC2O)cc1
InChIInChI=1S/C13H20N2O/c14-11-5-7-12(8-6-11)15-9-10-3-1-2-4-13(10)16/h5-8,10,13,15-16H,1-4,9,14H2
InChIKeyBIKVHUZKEVJTAY-UHFFFAOYSA-N
XLogP2.23
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminoanilino)methyl]cyclohexan-1-ol?
The IUPAC name of 2-[(4-aminoanilino)methyl]cyclohexan-1-ol (CID 64930000) is 2-[(4-aminoanilino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[(4-aminoanilino)methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[(4-aminoanilino)methyl]cyclohexan-1-ol is Nc1ccc(NCC2CCCCC2O)cc1.
What is the InChIKey of 2-[(4-aminoanilino)methyl]cyclohexan-1-ol?
The InChIKey is BIKVHUZKEVJTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c14-11-5-7-12(8-6-11)15-9-10-3-1-2-4-13(10)16/h5-8,10,13,15-16H,1-4,9,14H2.
What are the key properties of 2-[(4-aminoanilino)methyl]cyclohexan-1-ol?
2-[(4-aminoanilino)methyl]cyclohexan-1-ol has a molecular weight of 220.32 g/mol, XLogP of 2.23, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminoanilino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 64930000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).