3-[(1R)-1-aminobut-3-enyl]-4-methoxyphenol

C11H15NO2 — CID 55296324

IUPAC3-[(1R)-1-aminobut-3-enyl]-4-methoxyphenol
SMILESC=CC[C@@H](N)c1cc(O)ccc1OC
InChIInChI=1S/C11H15NO2/c1-3-4-10(12)9-7-8(13)5-6-11(9)14-2/h3,5-7,10,13H,1,4,12H2,2H3/t10-/m1/s1
InChIKeyGKVMJOCBPCDNKV-SNVBAGLBSA-N
MW193.25 g/mol
LogP1.98
Rot. Bonds4

About 3-[(1R)-1-aminobut-3-enyl]-4-methoxyphenol

3-[(1R)-1-aminobut-3-enyl]-4-methoxyphenol (PubChem CID 55296324) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-[(1R)-1-aminobut-3-enyl]-4-methoxyphenol.

Molecular Properties

Compound Name3-[(1R)-1-aminobut-3-enyl]-4-methoxyphenol
PubChem CID55296324
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name3-[(1R)-1-aminobut-3-enyl]-4-methoxyphenol
SMILESC=CC[C@@H](N)c1cc(O)ccc1OC
InChIInChI=1S/C11H15NO2/c1-3-4-10(12)9-7-8(13)5-6-11(9)14-2/h3,5-7,10,13H,1,4,12H2,2H3/t10-/m1/s1
InChIKeyGKVMJOCBPCDNKV-SNVBAGLBSA-N
XLogP1.98
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-(5-bromo-2-methoxyphenyl)but-3-en-1-amine
CID 171201592
(1S)-1-(5-bromo-2-methoxyphenyl)but-3-en-1-amine
CID 171221129
3-[(1R)-1-amino-2-hydroxyethyl]-4-methoxyphenol
CID 55292444
(1R)-1-(5-chloro-2-methoxyphenyl)but-3-en-1-amine;hydrochloride
CID 171215027
3-[(1S)-1-amino-3-hydroxypropyl]-4-methoxyphenol
CID 55271938
3-[(1R)-1-aminoethyl]-4-methoxyphenol
CID 131197518
2-[(1R)-1-aminobut-3-enyl]-4-bromo-6-methoxyphenol
CID 171212873
4-[(1R)-1-aminobut-3-enyl]-3-fluorophenol
CID 55292217
(1S)-1-(3,4-dimethoxyphenyl)but-3-en-1-amine
CID 11521312
(1S)-1-(4-methoxynaphthalen-1-yl)but-3-en-1-amine
CID 171232852
4-(1-aminobut-3-enyl)-2-methoxyphenol
CID 55295606
4-[(1S)-1-aminobut-3-enyl]-2,3-dibromo-6-methoxyphenol;hydrochloride
CID 171235118

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-aminobut-3-enyl]-4-methoxyphenol?
The IUPAC name of 3-[(1R)-1-aminobut-3-enyl]-4-methoxyphenol (CID 55296324) is 3-[(1R)-1-aminobut-3-enyl]-4-methoxyphenol.
What is the SMILES notation for 3-[(1R)-1-aminobut-3-enyl]-4-methoxyphenol?
The canonical SMILES for 3-[(1R)-1-aminobut-3-enyl]-4-methoxyphenol is C=CC[C@@H](N)c1cc(O)ccc1OC.
What is the InChIKey of 3-[(1R)-1-aminobut-3-enyl]-4-methoxyphenol?
The InChIKey is GKVMJOCBPCDNKV-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H15NO2/c1-3-4-10(12)9-7-8(13)5-6-11(9)14-2/h3,5-7,10,13H,1,4,12H2,2H3/t10-/m1/s1.
What are the key properties of 3-[(1R)-1-aminobut-3-enyl]-4-methoxyphenol?
3-[(1R)-1-aminobut-3-enyl]-4-methoxyphenol has a molecular weight of 193.25 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-aminobut-3-enyl]-4-methoxyphenol is sourced from PubChem (CID 55296324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).