4-tert-butyl-2-(3-propan-2-ylphenoxy)cyclohexan-1-amine

C19H31NO — CID 43097367

IUPAC4-tert-butyl-2-(3-propan-2-ylphenoxy)cyclohexan-1-amine
SMILESCC(C)c1cccc(OC2CC(C(C)(C)C)CCC2N)c1
InChIInChI=1S/C19H31NO/c1-13(2)14-7-6-8-16(11-14)21-18-12-15(19(3,4)5)9-10-17(18)20/h6-8,11,13,15,17-18H,9-10,12,20H2,1-5H3
InChIKeyKEQWQLLJEQNXTA-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.73
Rot. Bonds3

About 4-tert-butyl-2-(3-propan-2-ylphenoxy)cyclohexan-1-amine

4-tert-butyl-2-(3-propan-2-ylphenoxy)cyclohexan-1-amine (PubChem CID 43097367) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 4-tert-butyl-2-(3-propan-2-ylphenoxy)cyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-2-(3-propan-2-ylphenoxy)cyclohexan-1-amine
PubChem CID43097367
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name4-tert-butyl-2-(3-propan-2-ylphenoxy)cyclohexan-1-amine
SMILESCC(C)c1cccc(OC2CC(C(C)(C)C)CCC2N)c1
InChIInChI=1S/C19H31NO/c1-13(2)14-7-6-8-16(11-14)21-18-12-15(19(3,4)5)9-10-17(18)20/h6-8,11,13,15,17-18H,9-10,12,20H2,1-5H3
InChIKeyKEQWQLLJEQNXTA-UHFFFAOYSA-N
XLogP4.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.73
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-propan-2-ylphenoxy)cyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-2-(3-propan-2-ylphenoxy)cyclohexan-1-amine (CID 43097367) is 4-tert-butyl-2-(3-propan-2-ylphenoxy)cyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-2-(3-propan-2-ylphenoxy)cyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-2-(3-propan-2-ylphenoxy)cyclohexan-1-amine is CC(C)c1cccc(OC2CC(C(C)(C)C)CCC2N)c1.
What is the InChIKey of 4-tert-butyl-2-(3-propan-2-ylphenoxy)cyclohexan-1-amine?
The InChIKey is KEQWQLLJEQNXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-13(2)14-7-6-8-16(11-14)21-18-12-15(19(3,4)5)9-10-17(18)20/h6-8,11,13,15,17-18H,9-10,12,20H2,1-5H3.
What are the key properties of 4-tert-butyl-2-(3-propan-2-ylphenoxy)cyclohexan-1-amine?
4-tert-butyl-2-(3-propan-2-ylphenoxy)cyclohexan-1-amine has a molecular weight of 289.46 g/mol, XLogP of 4.73, 3 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-propan-2-ylphenoxy)cyclohexan-1-amine is sourced from PubChem (CID 43097367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).