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

C16H25NO — CID 15925832

IUPAC2-[methyl(3-phenylpropyl)amino]cyclohexan-1-ol
SMILESCN(CCCc1ccccc1)C1CCCCC1O
InChIInChI=1S/C16H25NO/c1-17(15-11-5-6-12-16(15)18)13-7-10-14-8-3-2-4-9-14/h2-4,8-9,15-16,18H,5-7,10-13H2,1H3
InChIKeyJGCZBDZBMDXUDD-UHFFFAOYSA-N
MW247.38 g/mol
LogP2.85
Rot. Bonds5

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

2-[methyl(3-phenylpropyl)amino]cyclohexan-1-ol (PubChem CID 15925832) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-[methyl(3-phenylpropyl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[methyl(3-phenylpropyl)amino]cyclohexan-1-ol
PubChem CID15925832
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-[methyl(3-phenylpropyl)amino]cyclohexan-1-ol
SMILESCN(CCCc1ccccc1)C1CCCCC1O
InChIInChI=1S/C16H25NO/c1-17(15-11-5-6-12-16(15)18)13-7-10-14-8-3-2-4-9-14/h2-4,8-9,15-16,18H,5-7,10-13H2,1H3
InChIKeyJGCZBDZBMDXUDD-UHFFFAOYSA-N
XLogP2.85
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(3-phenylpropyl)amino]cyclohexan-1-ol?
The IUPAC name of 2-[methyl(3-phenylpropyl)amino]cyclohexan-1-ol (CID 15925832) is 2-[methyl(3-phenylpropyl)amino]cyclohexan-1-ol.
What is the SMILES notation for 2-[methyl(3-phenylpropyl)amino]cyclohexan-1-ol?
The canonical SMILES for 2-[methyl(3-phenylpropyl)amino]cyclohexan-1-ol is CN(CCCc1ccccc1)C1CCCCC1O.
What is the InChIKey of 2-[methyl(3-phenylpropyl)amino]cyclohexan-1-ol?
The InChIKey is JGCZBDZBMDXUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-17(15-11-5-6-12-16(15)18)13-7-10-14-8-3-2-4-9-14/h2-4,8-9,15-16,18H,5-7,10-13H2,1H3.
What are the key properties of 2-[methyl(3-phenylpropyl)amino]cyclohexan-1-ol?
2-[methyl(3-phenylpropyl)amino]cyclohexan-1-ol has a molecular weight of 247.38 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(3-phenylpropyl)amino]cyclohexan-1-ol is sourced from PubChem (CID 15925832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).