2-methoxy-1-phenylbuta-2,3-dien-1-amine

C11H13NO — CID 130739533

IUPAC2-methoxy-1-phenylbuta-2,3-dien-1-amine
SMILESC=C=C(OC)C(N)c1ccccc1
InChIInChI=1S/C11H13NO/c1-3-10(13-2)11(12)9-7-5-4-6-8-9/h4-8,11H,1,12H2,2H3
InChIKeyMAJUYSZIPHJULY-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.00
Rot. Bonds3

About 2-methoxy-1-phenylbuta-2,3-dien-1-amine

2-methoxy-1-phenylbuta-2,3-dien-1-amine (PubChem CID 130739533) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-methoxy-1-phenylbuta-2,3-dien-1-amine.

Molecular Properties

Compound Name2-methoxy-1-phenylbuta-2,3-dien-1-amine
PubChem CID130739533
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name2-methoxy-1-phenylbuta-2,3-dien-1-amine
SMILESC=C=C(OC)C(N)c1ccccc1
InChIInChI=1S/C11H13NO/c1-3-10(13-2)11(12)9-7-5-4-6-8-9/h4-8,11H,1,12H2,2H3
InChIKeyMAJUYSZIPHJULY-UHFFFAOYSA-N
XLogP2.00
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

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(1R)-1-amino-3-methoxy-1-phenylpropan-2-one
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(2S)-2-amino-N-(1-methoxybutan-2-yl)-2-phenylacetamide
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2-amino-2-phenylacetic acid;benzene
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ethyl (2R)-2-amino-2-phenylacetate
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(2R)-2-amino-N-ethoxy-2-phenylacetamide
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ethyl 2-amino-2-phenylacetate chloride
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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-phenylbuta-2,3-dien-1-amine?
The IUPAC name of 2-methoxy-1-phenylbuta-2,3-dien-1-amine (CID 130739533) is 2-methoxy-1-phenylbuta-2,3-dien-1-amine.
What is the SMILES notation for 2-methoxy-1-phenylbuta-2,3-dien-1-amine?
The canonical SMILES for 2-methoxy-1-phenylbuta-2,3-dien-1-amine is C=C=C(OC)C(N)c1ccccc1.
What is the InChIKey of 2-methoxy-1-phenylbuta-2,3-dien-1-amine?
The InChIKey is MAJUYSZIPHJULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-3-10(13-2)11(12)9-7-5-4-6-8-9/h4-8,11H,1,12H2,2H3.
What are the key properties of 2-methoxy-1-phenylbuta-2,3-dien-1-amine?
2-methoxy-1-phenylbuta-2,3-dien-1-amine has a molecular weight of 175.23 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-phenylbuta-2,3-dien-1-amine is sourced from PubChem (CID 130739533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).