[4-ethyl-2-(2-propan-2-ylphenoxy)cyclohexyl]methanamine

C18H29NO — CID 43294024

IUPAC[4-ethyl-2-(2-propan-2-ylphenoxy)cyclohexyl]methanamine
SMILESCCC1CCC(CN)C(Oc2ccccc2C(C)C)C1
InChIInChI=1S/C18H29NO/c1-4-14-9-10-15(12-19)18(11-14)20-17-8-6-5-7-16(17)13(2)3/h5-8,13-15,18H,4,9-12,19H2,1-3H3
InChIKeyLABHYJCSPRWMHG-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.34
Rot. Bonds5

About [4-ethyl-2-(2-propan-2-ylphenoxy)cyclohexyl]methanamine

[4-ethyl-2-(2-propan-2-ylphenoxy)cyclohexyl]methanamine (PubChem CID 43294024) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is [4-ethyl-2-(2-propan-2-ylphenoxy)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-ethyl-2-(2-propan-2-ylphenoxy)cyclohexyl]methanamine
PubChem CID43294024
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name[4-ethyl-2-(2-propan-2-ylphenoxy)cyclohexyl]methanamine
SMILESCCC1CCC(CN)C(Oc2ccccc2C(C)C)C1
InChIInChI=1S/C18H29NO/c1-4-14-9-10-15(12-19)18(11-14)20-17-8-6-5-7-16(17)13(2)3/h5-8,13-15,18H,4,9-12,19H2,1-3H3
InChIKeyLABHYJCSPRWMHG-UHFFFAOYSA-N
XLogP4.34
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-ethyl-2-[2-(trifluoromethyl)phenoxy]cyclohexyl]methanamine
CID 43293835
[2-(2,3-dimethylphenoxy)-4-ethylcyclohexyl]methanamine
CID 43293889
1-(4-ethylcyclohexyl)oxy-2-propan-2-ylbenzene
CID 64763669
[2-(2-methoxyphenoxy)-4-propylcyclohexyl]methanamine
CID 43293990
2-(2-propan-2-ylphenoxy)-4-propylcyclohexan-1-ol
CID 63473096
[4-ethyl-2-(2,3,5-trimethylphenoxy)cyclohexyl]methanamine
CID 43294100
[2-(3,4-dimethylphenoxy)-4-ethylcyclohexyl]methanamine
CID 43293944
(1R)-1-[2-(4-ethylcyclohexyl)oxyphenyl]ethanamine
CID 78999303
[2-(2-ethylphenoxy)-4-methylcyclohexyl]methanamine
CID 43294242
[2-(2-methoxyphenoxy)-4-methylcyclohexyl]methanamine
CID 43293992
[2-(2-fluorophenoxy)-4-methylcyclohexyl]methanamine
CID 43293926
[2-(4-chloro-3-ethylphenoxy)-4-ethylcyclohexyl]methanamine
CID 43531328

Frequently Asked Questions

What is the IUPAC name of [4-ethyl-2-(2-propan-2-ylphenoxy)cyclohexyl]methanamine?
The IUPAC name of [4-ethyl-2-(2-propan-2-ylphenoxy)cyclohexyl]methanamine (CID 43294024) is [4-ethyl-2-(2-propan-2-ylphenoxy)cyclohexyl]methanamine.
What is the SMILES notation for [4-ethyl-2-(2-propan-2-ylphenoxy)cyclohexyl]methanamine?
The canonical SMILES for [4-ethyl-2-(2-propan-2-ylphenoxy)cyclohexyl]methanamine is CCC1CCC(CN)C(Oc2ccccc2C(C)C)C1.
What is the InChIKey of [4-ethyl-2-(2-propan-2-ylphenoxy)cyclohexyl]methanamine?
The InChIKey is LABHYJCSPRWMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-4-14-9-10-15(12-19)18(11-14)20-17-8-6-5-7-16(17)13(2)3/h5-8,13-15,18H,4,9-12,19H2,1-3H3.
What are the key properties of [4-ethyl-2-(2-propan-2-ylphenoxy)cyclohexyl]methanamine?
[4-ethyl-2-(2-propan-2-ylphenoxy)cyclohexyl]methanamine has a molecular weight of 275.44 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-2-(2-propan-2-ylphenoxy)cyclohexyl]methanamine is sourced from PubChem (CID 43294024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).