4-tert-butyl-2-(3-ethylphenoxy)-N-methylcyclohexan-1-amine

C19H31NO — CID 63473488

IUPAC4-tert-butyl-2-(3-ethylphenoxy)-N-methylcyclohexan-1-amine
SMILESCCc1cccc(OC2CC(C(C)(C)C)CCC2NC)c1
InChIInChI=1S/C19H31NO/c1-6-14-8-7-9-16(12-14)21-18-13-15(19(2,3)4)10-11-17(18)20-5/h7-9,12,15,17-18,20H,6,10-11,13H2,1-5H3
InChIKeyHWKZISNIETZDNU-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.43
Rot. Bonds4

About 4-tert-butyl-2-(3-ethylphenoxy)-N-methylcyclohexan-1-amine

4-tert-butyl-2-(3-ethylphenoxy)-N-methylcyclohexan-1-amine (PubChem CID 63473488) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 4-tert-butyl-2-(3-ethylphenoxy)-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-2-(3-ethylphenoxy)-N-methylcyclohexan-1-amine
PubChem CID63473488
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name4-tert-butyl-2-(3-ethylphenoxy)-N-methylcyclohexan-1-amine
SMILESCCc1cccc(OC2CC(C(C)(C)C)CCC2NC)c1
InChIInChI=1S/C19H31NO/c1-6-14-8-7-9-16(12-14)21-18-13-15(19(2,3)4)10-11-17(18)20-5/h7-9,12,15,17-18,20H,6,10-11,13H2,1-5H3
InChIKeyHWKZISNIETZDNU-UHFFFAOYSA-N
XLogP4.43
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 ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(3-ethylphenoxy)-N-methylcyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-2-(3-ethylphenoxy)-N-methylcyclohexan-1-amine (CID 63473488) is 4-tert-butyl-2-(3-ethylphenoxy)-N-methylcyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-2-(3-ethylphenoxy)-N-methylcyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-2-(3-ethylphenoxy)-N-methylcyclohexan-1-amine is CCc1cccc(OC2CC(C(C)(C)C)CCC2NC)c1.
What is the InChIKey of 4-tert-butyl-2-(3-ethylphenoxy)-N-methylcyclohexan-1-amine?
The InChIKey is HWKZISNIETZDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-6-14-8-7-9-16(12-14)21-18-13-15(19(2,3)4)10-11-17(18)20-5/h7-9,12,15,17-18,20H,6,10-11,13H2,1-5H3.
What are the key properties of 4-tert-butyl-2-(3-ethylphenoxy)-N-methylcyclohexan-1-amine?
4-tert-butyl-2-(3-ethylphenoxy)-N-methylcyclohexan-1-amine has a molecular weight of 289.46 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(3-ethylphenoxy)-N-methylcyclohexan-1-amine is sourced from PubChem (CID 63473488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).