3-amino-1-[(2,5-dimethylphenyl)methyl]cyclohexan-1-ol

C15H23NO — CID 80561179

IUPAC3-amino-1-[(2,5-dimethylphenyl)methyl]cyclohexan-1-ol
SMILESCc1ccc(C)c(CC2(O)CCCC(N)C2)c1
InChIInChI=1S/C15H23NO/c1-11-5-6-12(2)13(8-11)9-15(17)7-3-4-14(16)10-15/h5-6,8,14,17H,3-4,7,9-10,16H2,1-2H3
InChIKeyGNXFZNQHOOCTOE-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.48
Rot. Bonds2

About 3-amino-1-[(2,5-dimethylphenyl)methyl]cyclohexan-1-ol

3-amino-1-[(2,5-dimethylphenyl)methyl]cyclohexan-1-ol (PubChem CID 80561179) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 3-amino-1-[(2,5-dimethylphenyl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-amino-1-[(2,5-dimethylphenyl)methyl]cyclohexan-1-ol
PubChem CID80561179
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name3-amino-1-[(2,5-dimethylphenyl)methyl]cyclohexan-1-ol
SMILESCc1ccc(C)c(CC2(O)CCCC(N)C2)c1
InChIInChI=1S/C15H23NO/c1-11-5-6-12(2)13(8-11)9-15(17)7-3-4-14(16)10-15/h5-6,8,14,17H,3-4,7,9-10,16H2,1-2H3
InChIKeyGNXFZNQHOOCTOE-UHFFFAOYSA-N
XLogP2.48
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(2,5-dimethylphenyl)methyl]cyclohexan-1-ol?
The IUPAC name of 3-amino-1-[(2,5-dimethylphenyl)methyl]cyclohexan-1-ol (CID 80561179) is 3-amino-1-[(2,5-dimethylphenyl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-amino-1-[(2,5-dimethylphenyl)methyl]cyclohexan-1-ol?
The canonical SMILES for 3-amino-1-[(2,5-dimethylphenyl)methyl]cyclohexan-1-ol is Cc1ccc(C)c(CC2(O)CCCC(N)C2)c1.
What is the InChIKey of 3-amino-1-[(2,5-dimethylphenyl)methyl]cyclohexan-1-ol?
The InChIKey is GNXFZNQHOOCTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-11-5-6-12(2)13(8-11)9-15(17)7-3-4-14(16)10-15/h5-6,8,14,17H,3-4,7,9-10,16H2,1-2H3.
What are the key properties of 3-amino-1-[(2,5-dimethylphenyl)methyl]cyclohexan-1-ol?
3-amino-1-[(2,5-dimethylphenyl)methyl]cyclohexan-1-ol has a molecular weight of 233.35 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(2,5-dimethylphenyl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 80561179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).