N-ethyl-3-(2-propan-2-ylphenoxy)cyclohexan-1-amine

C17H27NO — CID 79618563

IUPACN-ethyl-3-(2-propan-2-ylphenoxy)cyclohexan-1-amine
SMILESCCNC1CCCC(Oc2ccccc2C(C)C)C1
InChIInChI=1S/C17H27NO/c1-4-18-14-8-7-9-15(12-14)19-17-11-6-5-10-16(17)13(2)3/h5-6,10-11,13-15,18H,4,7-9,12H2,1-3H3
InChIKeyHFNKMTAIVDVLEC-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.11
Rot. Bonds5

About N-ethyl-3-(2-propan-2-ylphenoxy)cyclohexan-1-amine

N-ethyl-3-(2-propan-2-ylphenoxy)cyclohexan-1-amine (PubChem CID 79618563) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-ethyl-3-(2-propan-2-ylphenoxy)cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(2-propan-2-ylphenoxy)cyclohexan-1-amine
PubChem CID79618563
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-ethyl-3-(2-propan-2-ylphenoxy)cyclohexan-1-amine
SMILESCCNC1CCCC(Oc2ccccc2C(C)C)C1
InChIInChI=1S/C17H27NO/c1-4-18-14-8-7-9-15(12-14)19-17-11-6-5-10-16(17)13(2)3/h5-6,10-11,13-15,18H,4,7-9,12H2,1-3H3
InChIKeyHFNKMTAIVDVLEC-UHFFFAOYSA-N
XLogP4.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(2-propan-2-ylphenoxy)cyclohexan-1-amine?
The IUPAC name of N-ethyl-3-(2-propan-2-ylphenoxy)cyclohexan-1-amine (CID 79618563) is N-ethyl-3-(2-propan-2-ylphenoxy)cyclohexan-1-amine.
What is the SMILES notation for N-ethyl-3-(2-propan-2-ylphenoxy)cyclohexan-1-amine?
The canonical SMILES for N-ethyl-3-(2-propan-2-ylphenoxy)cyclohexan-1-amine is CCNC1CCCC(Oc2ccccc2C(C)C)C1.
What is the InChIKey of N-ethyl-3-(2-propan-2-ylphenoxy)cyclohexan-1-amine?
The InChIKey is HFNKMTAIVDVLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-18-14-8-7-9-15(12-14)19-17-11-6-5-10-16(17)13(2)3/h5-6,10-11,13-15,18H,4,7-9,12H2,1-3H3.
What are the key properties of N-ethyl-3-(2-propan-2-ylphenoxy)cyclohexan-1-amine?
N-ethyl-3-(2-propan-2-ylphenoxy)cyclohexan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(2-propan-2-ylphenoxy)cyclohexan-1-amine is sourced from PubChem (CID 79618563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).