N-ethyl-4-methyl-2-(2-propan-2-ylphenoxy)cyclohexan-1-amine

C18H29NO — CID 63476148

IUPACN-ethyl-4-methyl-2-(2-propan-2-ylphenoxy)cyclohexan-1-amine
SMILESCCNC1CCC(C)CC1Oc1ccccc1C(C)C
InChIInChI=1S/C18H29NO/c1-5-19-16-11-10-14(4)12-18(16)20-17-9-7-6-8-15(17)13(2)3/h6-9,13-14,16,18-19H,5,10-12H2,1-4H3
InChIKeyARZOTGMELOUNJS-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.36
Rot. Bonds5

About N-ethyl-4-methyl-2-(2-propan-2-ylphenoxy)cyclohexan-1-amine

N-ethyl-4-methyl-2-(2-propan-2-ylphenoxy)cyclohexan-1-amine (PubChem CID 63476148) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-ethyl-4-methyl-2-(2-propan-2-ylphenoxy)cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-2-(2-propan-2-ylphenoxy)cyclohexan-1-amine
PubChem CID63476148
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-ethyl-4-methyl-2-(2-propan-2-ylphenoxy)cyclohexan-1-amine
SMILESCCNC1CCC(C)CC1Oc1ccccc1C(C)C
InChIInChI=1S/C18H29NO/c1-5-19-16-11-10-14(4)12-18(16)20-17-9-7-6-8-15(17)13(2)3/h6-9,13-14,16,18-19H,5,10-12H2,1-4H3
InChIKeyARZOTGMELOUNJS-UHFFFAOYSA-N
XLogP4.36
TPSA21.26 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 ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-2-(2-propan-2-ylphenoxy)cyclohexan-1-amine?
The IUPAC name of N-ethyl-4-methyl-2-(2-propan-2-ylphenoxy)cyclohexan-1-amine (CID 63476148) is N-ethyl-4-methyl-2-(2-propan-2-ylphenoxy)cyclohexan-1-amine.
What is the SMILES notation for N-ethyl-4-methyl-2-(2-propan-2-ylphenoxy)cyclohexan-1-amine?
The canonical SMILES for N-ethyl-4-methyl-2-(2-propan-2-ylphenoxy)cyclohexan-1-amine is CCNC1CCC(C)CC1Oc1ccccc1C(C)C.
What is the InChIKey of N-ethyl-4-methyl-2-(2-propan-2-ylphenoxy)cyclohexan-1-amine?
The InChIKey is ARZOTGMELOUNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-5-19-16-11-10-14(4)12-18(16)20-17-9-7-6-8-15(17)13(2)3/h6-9,13-14,16,18-19H,5,10-12H2,1-4H3.
What are the key properties of N-ethyl-4-methyl-2-(2-propan-2-ylphenoxy)cyclohexan-1-amine?
N-ethyl-4-methyl-2-(2-propan-2-ylphenoxy)cyclohexan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-2-(2-propan-2-ylphenoxy)cyclohexan-1-amine is sourced from PubChem (CID 63476148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).