N-methoxy-1-(4-propan-2-ylphenyl)methanamine

C11H17NO — CID 54198221

IUPACN-methoxy-1-(4-propan-2-ylphenyl)methanamine
SMILESCC(C)C1=CC=C(C=C1)CNOC
InChIInChI=1S/C11H17NO/c1-9(2)11-6-4-10(5-7-11)8-12-13-3/h4-7,9,12H,8H2,1-3H3
InChIKeyPNJJHVNJBVYWLT-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.50
Rot. Bonds4

About N-methoxy-1-(4-propan-2-ylphenyl)methanamine

N-methoxy-1-(4-propan-2-ylphenyl)methanamine (PubChem CID 54198221) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is N-methoxy-1-(4-propan-2-ylphenyl)methanamine.

Molecular Properties

Compound NameN-methoxy-1-(4-propan-2-ylphenyl)methanamine
PubChem CID54198221
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC NameN-methoxy-1-(4-propan-2-ylphenyl)methanamine
SMILESCC(C)C1=CC=C(C=C1)CNOC
InChIInChI=1S/C11H17NO/c1-9(2)11-6-4-10(5-7-11)8-12-13-3/h4-7,9,12H,8H2,1-3H3
InChIKeyPNJJHVNJBVYWLT-UHFFFAOYSA-N
XLogP2.50
TPSA21.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity128

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-methoxy-1-(4-propan-2-ylphenyl)methanamine?
The IUPAC name of N-methoxy-1-(4-propan-2-ylphenyl)methanamine (CID 54198221) is N-methoxy-1-(4-propan-2-ylphenyl)methanamine.
What is the SMILES notation for N-methoxy-1-(4-propan-2-ylphenyl)methanamine?
The canonical SMILES for N-methoxy-1-(4-propan-2-ylphenyl)methanamine is CC(C)C1=CC=C(C=C1)CNOC.
What is the InChIKey of N-methoxy-1-(4-propan-2-ylphenyl)methanamine?
The InChIKey is PNJJHVNJBVYWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-9(2)11-6-4-10(5-7-11)8-12-13-3/h4-7,9,12H,8H2,1-3H3.
What are the key properties of N-methoxy-1-(4-propan-2-ylphenyl)methanamine?
N-methoxy-1-(4-propan-2-ylphenyl)methanamine has a molecular weight of 179.26 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-(4-propan-2-ylphenyl)methanamine is sourced from PubChem (CID 54198221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).