4-tert-butyl-N-ethyl-2-(4-methylphenoxy)cyclohexan-1-amine

C19H31NO — CID 63474008

IUPAC4-tert-butyl-N-ethyl-2-(4-methylphenoxy)cyclohexan-1-amine
SMILESCCNC1CCC(C(C)(C)C)CC1Oc1ccc(C)cc1
InChIInChI=1S/C19H31NO/c1-6-20-17-12-9-15(19(3,4)5)13-18(17)21-16-10-7-14(2)8-11-16/h7-8,10-11,15,17-18,20H,6,9,12-13H2,1-5H3
InChIKeyHXPXPZYIXGZMGO-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.57
Rot. Bonds4

About 4-tert-butyl-N-ethyl-2-(4-methylphenoxy)cyclohexan-1-amine

4-tert-butyl-N-ethyl-2-(4-methylphenoxy)cyclohexan-1-amine (PubChem CID 63474008) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 4-tert-butyl-N-ethyl-2-(4-methylphenoxy)cyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-N-ethyl-2-(4-methylphenoxy)cyclohexan-1-amine
PubChem CID63474008
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name4-tert-butyl-N-ethyl-2-(4-methylphenoxy)cyclohexan-1-amine
SMILESCCNC1CCC(C(C)(C)C)CC1Oc1ccc(C)cc1
InChIInChI=1S/C19H31NO/c1-6-20-17-12-9-15(19(3,4)5)13-18(17)21-16-10-7-14(2)8-11-16/h7-8,10-11,15,17-18,20H,6,9,12-13H2,1-5H3
InChIKeyHXPXPZYIXGZMGO-UHFFFAOYSA-N
XLogP4.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-ethyl-2-(4-methylphenoxy)cyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-N-ethyl-2-(4-methylphenoxy)cyclohexan-1-amine (CID 63474008) is 4-tert-butyl-N-ethyl-2-(4-methylphenoxy)cyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-N-ethyl-2-(4-methylphenoxy)cyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-N-ethyl-2-(4-methylphenoxy)cyclohexan-1-amine is CCNC1CCC(C(C)(C)C)CC1Oc1ccc(C)cc1.
What is the InChIKey of 4-tert-butyl-N-ethyl-2-(4-methylphenoxy)cyclohexan-1-amine?
The InChIKey is HXPXPZYIXGZMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-6-20-17-12-9-15(19(3,4)5)13-18(17)21-16-10-7-14(2)8-11-16/h7-8,10-11,15,17-18,20H,6,9,12-13H2,1-5H3.
What are the key properties of 4-tert-butyl-N-ethyl-2-(4-methylphenoxy)cyclohexan-1-amine?
4-tert-butyl-N-ethyl-2-(4-methylphenoxy)cyclohexan-1-amine has a molecular weight of 289.46 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-ethyl-2-(4-methylphenoxy)cyclohexan-1-amine is sourced from PubChem (CID 63474008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).