4-tert-butyl-2-(2-methoxyphenoxy)cyclohexan-1-amine

C17H27NO2 — CID 43093468

IUPAC4-tert-butyl-2-(2-methoxyphenoxy)cyclohexan-1-amine
SMILESCOc1ccccc1OC1CC(C(C)(C)C)CCC1N
InChIInChI=1S/C17H27NO2/c1-17(2,3)12-9-10-13(18)16(11-12)20-15-8-6-5-7-14(15)19-4/h5-8,12-13,16H,9-11,18H2,1-4H3
InChIKeyGITYHEQJKARROL-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.62
Rot. Bonds3

About 4-tert-butyl-2-(2-methoxyphenoxy)cyclohexan-1-amine

4-tert-butyl-2-(2-methoxyphenoxy)cyclohexan-1-amine (PubChem CID 43093468) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 4-tert-butyl-2-(2-methoxyphenoxy)cyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-2-(2-methoxyphenoxy)cyclohexan-1-amine
PubChem CID43093468
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name4-tert-butyl-2-(2-methoxyphenoxy)cyclohexan-1-amine
SMILESCOc1ccccc1OC1CC(C(C)(C)C)CCC1N
InChIInChI=1S/C17H27NO2/c1-17(2,3)12-9-10-13(18)16(11-12)20-15-8-6-5-7-14(15)19-4/h5-8,12-13,16H,9-11,18H2,1-4H3
InChIKeyGITYHEQJKARROL-UHFFFAOYSA-N
XLogP3.62
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(2-methoxyphenoxy)cyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-2-(2-methoxyphenoxy)cyclohexan-1-amine (CID 43093468) is 4-tert-butyl-2-(2-methoxyphenoxy)cyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-2-(2-methoxyphenoxy)cyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-2-(2-methoxyphenoxy)cyclohexan-1-amine is COc1ccccc1OC1CC(C(C)(C)C)CCC1N.
What is the InChIKey of 4-tert-butyl-2-(2-methoxyphenoxy)cyclohexan-1-amine?
The InChIKey is GITYHEQJKARROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-17(2,3)12-9-10-13(18)16(11-12)20-15-8-6-5-7-14(15)19-4/h5-8,12-13,16H,9-11,18H2,1-4H3.
What are the key properties of 4-tert-butyl-2-(2-methoxyphenoxy)cyclohexan-1-amine?
4-tert-butyl-2-(2-methoxyphenoxy)cyclohexan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(2-methoxyphenoxy)cyclohexan-1-amine is sourced from PubChem (CID 43093468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).