[2-(2,3,5-trimethylphenoxy)cycloheptyl]methanamine

C17H27NO — CID 43294102

IUPAC[2-(2,3,5-trimethylphenoxy)cycloheptyl]methanamine
SMILESCc1cc(C)c(C)c(OC2CCCCCC2CN)c1
InChIInChI=1S/C17H27NO/c1-12-9-13(2)14(3)17(10-12)19-16-8-6-4-5-7-15(16)11-18/h9-10,15-16H,4-8,11,18H2,1-3H3
InChIKeyMSRBBVYOUREQKP-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.90
Rot. Bonds3

About [2-(2,3,5-trimethylphenoxy)cycloheptyl]methanamine

[2-(2,3,5-trimethylphenoxy)cycloheptyl]methanamine (PubChem CID 43294102) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is [2-(2,3,5-trimethylphenoxy)cycloheptyl]methanamine.

Molecular Properties

Compound Name[2-(2,3,5-trimethylphenoxy)cycloheptyl]methanamine
PubChem CID43294102
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name[2-(2,3,5-trimethylphenoxy)cycloheptyl]methanamine
SMILESCc1cc(C)c(C)c(OC2CCCCCC2CN)c1
InChIInChI=1S/C17H27NO/c1-12-9-13(2)14(3)17(10-12)19-16-8-6-4-5-7-15(16)11-18/h9-10,15-16H,4-8,11,18H2,1-3H3
InChIKeyMSRBBVYOUREQKP-UHFFFAOYSA-N
XLogP3.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-ethyl-2-(2,3,5-trimethylphenoxy)cyclohexyl]methanamine
CID 43294100
[2-(4-tert-butyl-2-methylphenoxy)cycloheptyl]methanamine
CID 43294228
N-methyl-2-(2,3,5-trimethylphenoxy)cyclooctan-1-amine
CID 63474382
[2-(4-tert-butyl-2-methylphenoxy)cyclohexyl]methanamine
CID 43294229
[2-(2-methylphenoxy)cyclopentyl]methanamine
CID 43293964
[2-(2,4-dichlorophenoxy)cyclohexyl]methanamine
CID 43531169
[2-(4-methylphenoxy)cyclopentyl]methanamine
CID 43294044
[2-(2-propoxyphenoxy)cycloheptyl]methanamine
CID 43294055
[2-(2,4-dichlorophenoxy)cyclopentyl]methanamine
CID 43531164
4-[2-(aminomethyl)cyclohexyl]oxy-2,6-dimethylpyridine-3-carboxamide
CID 81051431
(1S)-1-[2-(2-ethylcyclohexyl)oxy-4-methylphenyl]ethanamine
CID 78953333
2,2-dimethyl-5-(2,3,5-trimethylphenoxy)cyclopentan-1-ol
CID 79856366

Frequently Asked Questions

What is the IUPAC name of [2-(2,3,5-trimethylphenoxy)cycloheptyl]methanamine?
The IUPAC name of [2-(2,3,5-trimethylphenoxy)cycloheptyl]methanamine (CID 43294102) is [2-(2,3,5-trimethylphenoxy)cycloheptyl]methanamine.
What is the SMILES notation for [2-(2,3,5-trimethylphenoxy)cycloheptyl]methanamine?
The canonical SMILES for [2-(2,3,5-trimethylphenoxy)cycloheptyl]methanamine is Cc1cc(C)c(C)c(OC2CCCCCC2CN)c1.
What is the InChIKey of [2-(2,3,5-trimethylphenoxy)cycloheptyl]methanamine?
The InChIKey is MSRBBVYOUREQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-12-9-13(2)14(3)17(10-12)19-16-8-6-4-5-7-15(16)11-18/h9-10,15-16H,4-8,11,18H2,1-3H3.
What are the key properties of [2-(2,3,5-trimethylphenoxy)cycloheptyl]methanamine?
[2-(2,3,5-trimethylphenoxy)cycloheptyl]methanamine has a molecular weight of 261.41 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3,5-trimethylphenoxy)cycloheptyl]methanamine is sourced from PubChem (CID 43294102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).