2-(4-propan-2-ylphenoxy)cycloheptan-1-amine

C16H25NO — CID 43104678

IUPAC2-(4-propan-2-ylphenoxy)cycloheptan-1-amine
SMILESCC(C)c1ccc(OC2CCCCCC2N)cc1
InChIInChI=1S/C16H25NO/c1-12(2)13-8-10-14(11-9-13)18-16-7-5-3-4-6-15(16)17/h8-12,15-16H,3-7,17H2,1-2H3
InChIKeyCKBKNQXQOLZCRE-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.85
Rot. Bonds3

About 2-(4-propan-2-ylphenoxy)cycloheptan-1-amine

2-(4-propan-2-ylphenoxy)cycloheptan-1-amine (PubChem CID 43104678) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-(4-propan-2-ylphenoxy)cycloheptan-1-amine.

Molecular Properties

Compound Name2-(4-propan-2-ylphenoxy)cycloheptan-1-amine
PubChem CID43104678
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-(4-propan-2-ylphenoxy)cycloheptan-1-amine
SMILESCC(C)c1ccc(OC2CCCCCC2N)cc1
InChIInChI=1S/C16H25NO/c1-12(2)13-8-10-14(11-9-13)18-16-7-5-3-4-6-15(16)17/h8-12,15-16H,3-7,17H2,1-2H3
InChIKeyCKBKNQXQOLZCRE-UHFFFAOYSA-N
XLogP3.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylphenoxy)cycloheptan-1-amine?
The IUPAC name of 2-(4-propan-2-ylphenoxy)cycloheptan-1-amine (CID 43104678) is 2-(4-propan-2-ylphenoxy)cycloheptan-1-amine.
What is the SMILES notation for 2-(4-propan-2-ylphenoxy)cycloheptan-1-amine?
The canonical SMILES for 2-(4-propan-2-ylphenoxy)cycloheptan-1-amine is CC(C)c1ccc(OC2CCCCCC2N)cc1.
What is the InChIKey of 2-(4-propan-2-ylphenoxy)cycloheptan-1-amine?
The InChIKey is CKBKNQXQOLZCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12(2)13-8-10-14(11-9-13)18-16-7-5-3-4-6-15(16)17/h8-12,15-16H,3-7,17H2,1-2H3.
What are the key properties of 2-(4-propan-2-ylphenoxy)cycloheptan-1-amine?
2-(4-propan-2-ylphenoxy)cycloheptan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylphenoxy)cycloheptan-1-amine is sourced from PubChem (CID 43104678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).