2-[4-(2-aminoethyl)phenoxy]cycloheptan-1-ol

C15H23NO2 — CID 106940170

IUPAC2-[4-(2-aminoethyl)phenoxy]cycloheptan-1-ol
SMILESNCCc1ccc(OC2CCCCCC2O)cc1
InChIInChI=1S/C15H23NO2/c16-11-10-12-6-8-13(9-7-12)18-15-5-3-1-2-4-14(15)17/h6-9,14-15,17H,1-5,10-11,16H2
InChIKeyUADPOYWMTJOBBE-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.26
Rot. Bonds4

About 2-[4-(2-aminoethyl)phenoxy]cycloheptan-1-ol

2-[4-(2-aminoethyl)phenoxy]cycloheptan-1-ol (PubChem CID 106940170) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-[4-(2-aminoethyl)phenoxy]cycloheptan-1-ol.

Molecular Properties

Compound Name2-[4-(2-aminoethyl)phenoxy]cycloheptan-1-ol
PubChem CID106940170
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-[4-(2-aminoethyl)phenoxy]cycloheptan-1-ol
SMILESNCCc1ccc(OC2CCCCCC2O)cc1
InChIInChI=1S/C15H23NO2/c16-11-10-12-6-8-13(9-7-12)18-15-5-3-1-2-4-14(15)17/h6-9,14-15,17H,1-5,10-11,16H2
InChIKeyUADPOYWMTJOBBE-UHFFFAOYSA-N
XLogP2.26
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-aminoethyl)phenoxy]cyclohexan-1-ol
CID 106940161
2-[4-(2-aminopropyl)phenoxy]cycloheptan-1-ol
CID 115494554
2-[4-(methylaminomethyl)phenoxy]cyclohexan-1-ol
CID 60880419
2-phenoxycyclooctan-1-ol
CID 22247671
trans-(1S,2S)-2-(4-bromophenoxy)cyclohexan-1-ol
CID 67195201
2-[[6-(aminomethyl)-3-pyridinyl]oxy]cyclohexan-1-ol
CID 79775403
4-[(1S,2S)-2-hydroxycyclohexyl]oxybenzonitrile
CID 102732523
[2-[4-(2-methoxyethyl)phenoxy]cyclohexyl]methanamine
CID 43294234
2-[4-(2-cyclohexylethyl)phenyl]ethanamine
CID 15036641
trans-(1S,2S)-2-(4-phenoxyphenoxy)cyclopentan-1-ol
CID 102735416
4-(2-hydroxycyclopentyl)oxybenzaldehyde
CID 60886464
4-[(1R,2R)-2-hydroxycyclopentyl]oxybenzaldehyde
CID 87176687

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethyl)phenoxy]cycloheptan-1-ol?
The IUPAC name of 2-[4-(2-aminoethyl)phenoxy]cycloheptan-1-ol (CID 106940170) is 2-[4-(2-aminoethyl)phenoxy]cycloheptan-1-ol.
What is the SMILES notation for 2-[4-(2-aminoethyl)phenoxy]cycloheptan-1-ol?
The canonical SMILES for 2-[4-(2-aminoethyl)phenoxy]cycloheptan-1-ol is NCCc1ccc(OC2CCCCCC2O)cc1.
What is the InChIKey of 2-[4-(2-aminoethyl)phenoxy]cycloheptan-1-ol?
The InChIKey is UADPOYWMTJOBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c16-11-10-12-6-8-13(9-7-12)18-15-5-3-1-2-4-14(15)17/h6-9,14-15,17H,1-5,10-11,16H2.
What are the key properties of 2-[4-(2-aminoethyl)phenoxy]cycloheptan-1-ol?
2-[4-(2-aminoethyl)phenoxy]cycloheptan-1-ol has a molecular weight of 249.35 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethyl)phenoxy]cycloheptan-1-ol is sourced from PubChem (CID 106940170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).