2-(4-phenylphenoxy)cycloheptan-1-amine

C19H23NO — CID 43591607

IUPAC2-(4-phenylphenoxy)cycloheptan-1-amine
SMILESNC1CCCCCC1Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H23NO/c20-18-9-5-2-6-10-19(18)21-17-13-11-16(12-14-17)15-7-3-1-4-8-15/h1,3-4,7-8,11-14,18-19H,2,5-6,9-10,20H2
InChIKeyWUJUKQUQFGABOF-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.39
Rot. Bonds3

About 2-(4-phenylphenoxy)cycloheptan-1-amine

2-(4-phenylphenoxy)cycloheptan-1-amine (PubChem CID 43591607) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-(4-phenylphenoxy)cycloheptan-1-amine.

Molecular Properties

Compound Name2-(4-phenylphenoxy)cycloheptan-1-amine
PubChem CID43591607
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name2-(4-phenylphenoxy)cycloheptan-1-amine
SMILESNC1CCCCCC1Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H23NO/c20-18-9-5-2-6-10-19(18)21-17-13-11-16(12-14-17)15-7-3-1-4-8-15/h1,3-4,7-8,11-14,18-19H,2,5-6,9-10,20H2
InChIKeyWUJUKQUQFGABOF-UHFFFAOYSA-N
XLogP4.39
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylphenoxy)cycloheptan-1-amine?
The IUPAC name of 2-(4-phenylphenoxy)cycloheptan-1-amine (CID 43591607) is 2-(4-phenylphenoxy)cycloheptan-1-amine.
What is the SMILES notation for 2-(4-phenylphenoxy)cycloheptan-1-amine?
The canonical SMILES for 2-(4-phenylphenoxy)cycloheptan-1-amine is NC1CCCCCC1Oc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-(4-phenylphenoxy)cycloheptan-1-amine?
The InChIKey is WUJUKQUQFGABOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c20-18-9-5-2-6-10-19(18)21-17-13-11-16(12-14-17)15-7-3-1-4-8-15/h1,3-4,7-8,11-14,18-19H,2,5-6,9-10,20H2.
What are the key properties of 2-(4-phenylphenoxy)cycloheptan-1-amine?
2-(4-phenylphenoxy)cycloheptan-1-amine has a molecular weight of 281.40 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylphenoxy)cycloheptan-1-amine is sourced from PubChem (CID 43591607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).