N-methoxy-3-methyl-2-[(Z)-prop-1-enyl]aniline

C11H15NO — CID 134485374

IUPACN-methoxy-3-methyl-2-[(Z)-prop-1-enyl]aniline
SMILESC/C=C\c1c(C)cccc1NOC
InChIInChI=1S/C11H15NO/c1-4-6-10-9(2)7-5-8-11(10)12-13-3/h4-8,12H,1-3H3/b6-4-
InChIKeyNRDRDCZPYQFTLT-XQRVVYSFSA-N
MW177.25 g/mol
LogP3.00
Rot. Bonds3

About N-methoxy-3-methyl-2-[(Z)-prop-1-enyl]aniline

N-methoxy-3-methyl-2-[(Z)-prop-1-enyl]aniline (PubChem CID 134485374) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is N-methoxy-3-methyl-2-[(Z)-prop-1-enyl]aniline.

Molecular Properties

Compound NameN-methoxy-3-methyl-2-[(Z)-prop-1-enyl]aniline
PubChem CID134485374
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC NameN-methoxy-3-methyl-2-[(Z)-prop-1-enyl]aniline
SMILESC/C=C\c1c(C)cccc1NOC
InChIInChI=1S/C11H15NO/c1-4-6-10-9(2)7-5-8-11(10)12-13-3/h4-8,12H,1-3H3/b6-4-
InChIKeyNRDRDCZPYQFTLT-XQRVVYSFSA-N
XLogP3.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 53.00
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-3-methyl-2-[(Z)-prop-1-enyl]aniline?
The IUPAC name of N-methoxy-3-methyl-2-[(Z)-prop-1-enyl]aniline (CID 134485374) is N-methoxy-3-methyl-2-[(Z)-prop-1-enyl]aniline.
What is the SMILES notation for N-methoxy-3-methyl-2-[(Z)-prop-1-enyl]aniline?
The canonical SMILES for N-methoxy-3-methyl-2-[(Z)-prop-1-enyl]aniline is C/C=C\c1c(C)cccc1NOC.
What is the InChIKey of N-methoxy-3-methyl-2-[(Z)-prop-1-enyl]aniline?
The InChIKey is NRDRDCZPYQFTLT-XQRVVYSFSA-N. The full InChI is InChI=1S/C11H15NO/c1-4-6-10-9(2)7-5-8-11(10)12-13-3/h4-8,12H,1-3H3/b6-4-.
What are the key properties of N-methoxy-3-methyl-2-[(Z)-prop-1-enyl]aniline?
N-methoxy-3-methyl-2-[(Z)-prop-1-enyl]aniline has a molecular weight of 177.25 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-3-methyl-2-[(Z)-prop-1-enyl]aniline is sourced from PubChem (CID 134485374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).