4-phenyl-2-(2-propoxyethyl)cyclohexan-1-amine

C17H27NO — CID 106454495

IUPAC4-phenyl-2-(2-propoxyethyl)cyclohexan-1-amine
SMILESCCCOCCC1CC(c2ccccc2)CCC1N
InChIInChI=1S/C17H27NO/c1-2-11-19-12-10-16-13-15(8-9-17(16)18)14-6-4-3-5-7-14/h3-7,15-17H,2,8-13,18H2,1H3
InChIKeyFIRRXQAHQTUVDP-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.71
Rot. Bonds6

About 4-phenyl-2-(2-propoxyethyl)cyclohexan-1-amine

4-phenyl-2-(2-propoxyethyl)cyclohexan-1-amine (PubChem CID 106454495) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 4-phenyl-2-(2-propoxyethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-phenyl-2-(2-propoxyethyl)cyclohexan-1-amine
PubChem CID106454495
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name4-phenyl-2-(2-propoxyethyl)cyclohexan-1-amine
SMILESCCCOCCC1CC(c2ccccc2)CCC1N
InChIInChI=1S/C17H27NO/c1-2-11-19-12-10-16-13-15(8-9-17(16)18)14-6-4-3-5-7-14/h3-7,15-17H,2,8-13,18H2,1H3
InChIKeyFIRRXQAHQTUVDP-UHFFFAOYSA-N
XLogP3.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.71
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 4-phenyl-2-(2-propoxyethyl)cyclohexan-1-amine?
The IUPAC name of 4-phenyl-2-(2-propoxyethyl)cyclohexan-1-amine (CID 106454495) is 4-phenyl-2-(2-propoxyethyl)cyclohexan-1-amine.
What is the SMILES notation for 4-phenyl-2-(2-propoxyethyl)cyclohexan-1-amine?
The canonical SMILES for 4-phenyl-2-(2-propoxyethyl)cyclohexan-1-amine is CCCOCCC1CC(c2ccccc2)CCC1N.
What is the InChIKey of 4-phenyl-2-(2-propoxyethyl)cyclohexan-1-amine?
The InChIKey is FIRRXQAHQTUVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-2-11-19-12-10-16-13-15(8-9-17(16)18)14-6-4-3-5-7-14/h3-7,15-17H,2,8-13,18H2,1H3.
What are the key properties of 4-phenyl-2-(2-propoxyethyl)cyclohexan-1-amine?
4-phenyl-2-(2-propoxyethyl)cyclohexan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-(2-propoxyethyl)cyclohexan-1-amine is sourced from PubChem (CID 106454495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).