2-(3-tert-butylphenoxy)-3,5-dimethylcyclohexan-1-amine

C18H29NO — CID 64751397

IUPAC2-(3-tert-butylphenoxy)-3,5-dimethylcyclohexan-1-amine
SMILESCC1CC(C)C(Oc2cccc(C(C)(C)C)c2)C(N)C1
InChIInChI=1S/C18H29NO/c1-12-9-13(2)17(16(19)10-12)20-15-8-6-7-14(11-15)18(3,4)5/h6-8,11-13,16-17H,9-10,19H2,1-5H3
InChIKeyQQHJHWAPOWVVTG-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.12
Rot. Bonds2

About 2-(3-tert-butylphenoxy)-3,5-dimethylcyclohexan-1-amine

2-(3-tert-butylphenoxy)-3,5-dimethylcyclohexan-1-amine (PubChem CID 64751397) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-(3-tert-butylphenoxy)-3,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(3-tert-butylphenoxy)-3,5-dimethylcyclohexan-1-amine
PubChem CID64751397
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2-(3-tert-butylphenoxy)-3,5-dimethylcyclohexan-1-amine
SMILESCC1CC(C)C(Oc2cccc(C(C)(C)C)c2)C(N)C1
InChIInChI=1S/C18H29NO/c1-12-9-13(2)17(16(19)10-12)20-15-8-6-7-14(11-15)18(3,4)5/h6-8,11-13,16-17H,9-10,19H2,1-5H3
InChIKeyQQHJHWAPOWVVTG-UHFFFAOYSA-N
XLogP4.12
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butylphenoxy)-3,5-dimethylcyclohexan-1-amine?
The IUPAC name of 2-(3-tert-butylphenoxy)-3,5-dimethylcyclohexan-1-amine (CID 64751397) is 2-(3-tert-butylphenoxy)-3,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for 2-(3-tert-butylphenoxy)-3,5-dimethylcyclohexan-1-amine?
The canonical SMILES for 2-(3-tert-butylphenoxy)-3,5-dimethylcyclohexan-1-amine is CC1CC(C)C(Oc2cccc(C(C)(C)C)c2)C(N)C1.
What is the InChIKey of 2-(3-tert-butylphenoxy)-3,5-dimethylcyclohexan-1-amine?
The InChIKey is QQHJHWAPOWVVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-12-9-13(2)17(16(19)10-12)20-15-8-6-7-14(11-15)18(3,4)5/h6-8,11-13,16-17H,9-10,19H2,1-5H3.
What are the key properties of 2-(3-tert-butylphenoxy)-3,5-dimethylcyclohexan-1-amine?
2-(3-tert-butylphenoxy)-3,5-dimethylcyclohexan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butylphenoxy)-3,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64751397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).