N-(2-ethoxyethyl)-1-phenylcyclohexan-1-amine

C16H25NO — CID 46839345

IUPACN-(2-ethoxyethyl)-1-phenylcyclohexan-1-amine
SMILESCCOCCNC1(c2ccccc2)CCCCC1
InChIInChI=1S/C16H25NO/c1-2-18-14-13-17-16(11-7-4-8-12-16)15-9-5-3-6-10-15/h3,5-6,9-10,17H,2,4,7-8,11-14H2,1H3
InChIKeyPRQVCBDFWYTXDD-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.47
Rot. Bonds6

About N-(2-ethoxyethyl)-1-phenylcyclohexan-1-amine

N-(2-ethoxyethyl)-1-phenylcyclohexan-1-amine (PubChem CID 46839345) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-1-phenylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-1-phenylcyclohexan-1-amine
PubChem CID46839345
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-(2-ethoxyethyl)-1-phenylcyclohexan-1-amine
SMILESCCOCCNC1(c2ccccc2)CCCCC1
InChIInChI=1S/C16H25NO/c1-2-18-14-13-17-16(11-7-4-8-12-16)15-9-5-3-6-10-15/h3,5-6,9-10,17H,2,4,7-8,11-14H2,1H3
InChIKeyPRQVCBDFWYTXDD-UHFFFAOYSA-N
XLogP3.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-1-phenylcyclohexan-1-amine?
The IUPAC name of N-(2-ethoxyethyl)-1-phenylcyclohexan-1-amine (CID 46839345) is N-(2-ethoxyethyl)-1-phenylcyclohexan-1-amine.
What is the SMILES notation for N-(2-ethoxyethyl)-1-phenylcyclohexan-1-amine?
The canonical SMILES for N-(2-ethoxyethyl)-1-phenylcyclohexan-1-amine is CCOCCNC1(c2ccccc2)CCCCC1.
What is the InChIKey of N-(2-ethoxyethyl)-1-phenylcyclohexan-1-amine?
The InChIKey is PRQVCBDFWYTXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-2-18-14-13-17-16(11-7-4-8-12-16)15-9-5-3-6-10-15/h3,5-6,9-10,17H,2,4,7-8,11-14H2,1H3.
What are the key properties of N-(2-ethoxyethyl)-1-phenylcyclohexan-1-amine?
N-(2-ethoxyethyl)-1-phenylcyclohexan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-1-phenylcyclohexan-1-amine is sourced from PubChem (CID 46839345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).