N-(4-tert-butylphenoxy)methanamine

C11H17NO — CID 170041711

IUPACN-(4-tert-butylphenoxy)methanamine
SMILESCNOc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C11H17NO/c1-11(2,3)9-5-7-10(8-6-9)13-12-4/h5-8,12H,1-4H3
InChIKeyLCTOETYRFRCJGH-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.50
Rot. Bonds2

About N-(4-tert-butylphenoxy)methanamine

N-(4-tert-butylphenoxy)methanamine (PubChem CID 170041711) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is N-(4-tert-butylphenoxy)methanamine.

Molecular Properties

Compound NameN-(4-tert-butylphenoxy)methanamine
PubChem CID170041711
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC NameN-(4-tert-butylphenoxy)methanamine
SMILESCNOc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C11H17NO/c1-11(2,3)9-5-7-10(8-6-9)13-12-4/h5-8,12H,1-4H3
InChIKeyLCTOETYRFRCJGH-UHFFFAOYSA-N
XLogP2.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenoxy)methanamine?
The IUPAC name of N-(4-tert-butylphenoxy)methanamine (CID 170041711) is N-(4-tert-butylphenoxy)methanamine.
What is the SMILES notation for N-(4-tert-butylphenoxy)methanamine?
The canonical SMILES for N-(4-tert-butylphenoxy)methanamine is CNOc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-(4-tert-butylphenoxy)methanamine?
The InChIKey is LCTOETYRFRCJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-11(2,3)9-5-7-10(8-6-9)13-12-4/h5-8,12H,1-4H3.
What are the key properties of N-(4-tert-butylphenoxy)methanamine?
N-(4-tert-butylphenoxy)methanamine has a molecular weight of 179.26 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenoxy)methanamine is sourced from PubChem (CID 170041711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).