2-(4-tert-butyl-2-methylphenoxy)-3,5-dimethylcyclohexan-1-amine

C19H31NO — CID 64751598

IUPAC2-(4-tert-butyl-2-methylphenoxy)-3,5-dimethylcyclohexan-1-amine
SMILESCc1cc(C(C)(C)C)ccc1OC1C(C)CC(C)CC1N
InChIInChI=1S/C19H31NO/c1-12-9-14(3)18(16(20)10-12)21-17-8-7-15(11-13(17)2)19(4,5)6/h7-8,11-12,14,16,18H,9-10,20H2,1-6H3
InChIKeyCHBGMDADZMERHM-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.43
Rot. Bonds2

About 2-(4-tert-butyl-2-methylphenoxy)-3,5-dimethylcyclohexan-1-amine

2-(4-tert-butyl-2-methylphenoxy)-3,5-dimethylcyclohexan-1-amine (PubChem CID 64751598) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 2-(4-tert-butyl-2-methylphenoxy)-3,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(4-tert-butyl-2-methylphenoxy)-3,5-dimethylcyclohexan-1-amine
PubChem CID64751598
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name2-(4-tert-butyl-2-methylphenoxy)-3,5-dimethylcyclohexan-1-amine
SMILESCc1cc(C(C)(C)C)ccc1OC1C(C)CC(C)CC1N
InChIInChI=1S/C19H31NO/c1-12-9-14(3)18(16(20)10-12)21-17-8-7-15(11-13(17)2)19(4,5)6/h7-8,11-12,14,16,18H,9-10,20H2,1-6H3
InChIKeyCHBGMDADZMERHM-UHFFFAOYSA-N
XLogP4.43
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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 2-(4-tert-butyl-2-methylphenoxy)-3,5-dimethylcyclohexan-1-amine?
The IUPAC name of 2-(4-tert-butyl-2-methylphenoxy)-3,5-dimethylcyclohexan-1-amine (CID 64751598) is 2-(4-tert-butyl-2-methylphenoxy)-3,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for 2-(4-tert-butyl-2-methylphenoxy)-3,5-dimethylcyclohexan-1-amine?
The canonical SMILES for 2-(4-tert-butyl-2-methylphenoxy)-3,5-dimethylcyclohexan-1-amine is Cc1cc(C(C)(C)C)ccc1OC1C(C)CC(C)CC1N.
What is the InChIKey of 2-(4-tert-butyl-2-methylphenoxy)-3,5-dimethylcyclohexan-1-amine?
The InChIKey is CHBGMDADZMERHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-12-9-14(3)18(16(20)10-12)21-17-8-7-15(11-13(17)2)19(4,5)6/h7-8,11-12,14,16,18H,9-10,20H2,1-6H3.
What are the key properties of 2-(4-tert-butyl-2-methylphenoxy)-3,5-dimethylcyclohexan-1-amine?
2-(4-tert-butyl-2-methylphenoxy)-3,5-dimethylcyclohexan-1-amine has a molecular weight of 289.46 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-2-methylphenoxy)-3,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64751598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).