[2-(2-propoxyphenoxy)cycloheptyl]methanamine

C17H27NO2 — CID 43294055

IUPAC[2-(2-propoxyphenoxy)cycloheptyl]methanamine
SMILESCCCOc1ccccc1OC1CCCCCC1CN
InChIInChI=1S/C17H27NO2/c1-2-12-19-16-10-6-7-11-17(16)20-15-9-5-3-4-8-14(15)13-18/h6-7,10-11,14-15H,2-5,8-9,12-13,18H2,1H3
InChIKeyJORPZNRMLAPVLU-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.76
Rot. Bonds6

About [2-(2-propoxyphenoxy)cycloheptyl]methanamine

[2-(2-propoxyphenoxy)cycloheptyl]methanamine (PubChem CID 43294055) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is [2-(2-propoxyphenoxy)cycloheptyl]methanamine.

Molecular Properties

Compound Name[2-(2-propoxyphenoxy)cycloheptyl]methanamine
PubChem CID43294055
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name[2-(2-propoxyphenoxy)cycloheptyl]methanamine
SMILESCCCOc1ccccc1OC1CCCCCC1CN
InChIInChI=1S/C17H27NO2/c1-2-12-19-16-10-6-7-11-17(16)20-15-9-5-3-4-8-14(15)13-18/h6-7,10-11,14-15H,2-5,8-9,12-13,18H2,1H3
InChIKeyJORPZNRMLAPVLU-UHFFFAOYSA-N
XLogP3.76
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-methylphenoxy)cyclopentyl]methanamine
CID 43293964
[2-(4-propoxypyrimidin-2-yl)oxycyclopentyl]methanamine
CID 112639060
N-cyclohexyl-2-propoxyaniline
CID 43682292
2-(2-ethoxyphenoxy)cyclopentan-1-amine
CID 16781253
[2-(2-methoxyphenoxy)-4-methylcyclohexyl]methanamine
CID 43293992
[2-(6-propoxypyrimidin-4-yl)oxycyclopentyl]methanamine
CID 66333410
N-[3-(2-propoxyphenoxy)propyl]cyclohexanamine
CID 62573100
[2-(4-tert-butyl-2-methylphenoxy)cycloheptyl]methanamine
CID 43294228
[2-(2-methoxyphenoxy)-4-propylcyclohexyl]methanamine
CID 43293990
2-(2-ethoxyphenoxy)cyclohexan-1-ol
CID 60878019
[2-(2,3,5-trimethylphenoxy)cycloheptyl]methanamine
CID 43294102
[2-(4-tert-butyl-2-methylphenoxy)cyclohexyl]methanamine
CID 43294229

Frequently Asked Questions

What is the IUPAC name of [2-(2-propoxyphenoxy)cycloheptyl]methanamine?
The IUPAC name of [2-(2-propoxyphenoxy)cycloheptyl]methanamine (CID 43294055) is [2-(2-propoxyphenoxy)cycloheptyl]methanamine.
What is the SMILES notation for [2-(2-propoxyphenoxy)cycloheptyl]methanamine?
The canonical SMILES for [2-(2-propoxyphenoxy)cycloheptyl]methanamine is CCCOc1ccccc1OC1CCCCCC1CN.
What is the InChIKey of [2-(2-propoxyphenoxy)cycloheptyl]methanamine?
The InChIKey is JORPZNRMLAPVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-2-12-19-16-10-6-7-11-17(16)20-15-9-5-3-4-8-14(15)13-18/h6-7,10-11,14-15H,2-5,8-9,12-13,18H2,1H3.
What are the key properties of [2-(2-propoxyphenoxy)cycloheptyl]methanamine?
[2-(2-propoxyphenoxy)cycloheptyl]methanamine has a molecular weight of 277.41 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-propoxyphenoxy)cycloheptyl]methanamine is sourced from PubChem (CID 43294055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).