4-[2-(dimethylamino)-3-methoxybut-3-enyl]phenol

C13H19NO2 — CID 22946570

IUPAC4-[2-(dimethylamino)-3-methoxybut-3-enyl]phenol
SMILESC=C(OC)C(Cc1ccc(O)cc1)N(C)C
InChIInChI=1S/C13H19NO2/c1-10(16-4)13(14(2)3)9-11-5-7-12(15)8-6-11/h5-8,13,15H,1,9H2,2-4H3
InChIKeyVAEPCSDFZZATOC-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.03
Rot. Bonds5

About 4-[2-(dimethylamino)-3-methoxybut-3-enyl]phenol

4-[2-(dimethylamino)-3-methoxybut-3-enyl]phenol (PubChem CID 22946570) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-[2-(dimethylamino)-3-methoxybut-3-enyl]phenol.

Molecular Properties

Compound Name4-[2-(dimethylamino)-3-methoxybut-3-enyl]phenol
PubChem CID22946570
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name4-[2-(dimethylamino)-3-methoxybut-3-enyl]phenol
SMILESC=C(OC)C(Cc1ccc(O)cc1)N(C)C
InChIInChI=1S/C13H19NO2/c1-10(16-4)13(14(2)3)9-11-5-7-12(15)8-6-11/h5-8,13,15H,1,9H2,2-4H3
InChIKeyVAEPCSDFZZATOC-UHFFFAOYSA-N
XLogP2.03
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(2S)-2-(dimethylamino)-3-methoxybut-3-enyl]phenol
CID 59873664
(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propanamide
CID 70366423
methyl (2S)-3-(4-hydroxyphenyl)-2-[methyl(prop-2-ynyl)amino]propanoate
CID 56601958
propan-2-yl (2S)-2-(dimethylamino)-3-[4-(4-hydroxyphenoxy)phenyl]propanoate
CID 54214394
methyl (2S)-3-(4-hydroxyphenyl)-2-(methylideneamino)propanoate
CID 145050952
dimethyl 2-[(4-hydroxyphenyl)methyl]propanedioate
CID 54350942
methyl 2-[(4-hydroxyphenyl)methyl]-3-oxobutanoate
CID 54108522
methyl (2S)-2-[chloro-(2,2,2-trifluoroacetyl)amino]-3-(4-hydroxyphenyl)propanoate;hydrochloride
CID 141073623
methyl 3-[(4-hydroxyphenyl)methyl]-4-[methyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoate
CID 142950954
2-(dimethylamino)-3-(4-hydroxyphenyl)propanal
CID 177035861
methyl 2-amino-3-(4-hydroxyphenyl)propanoate
CID 144819630
4-(3-methoxy-2-methylpropyl)phenol
CID 143413207

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)-3-methoxybut-3-enyl]phenol?
The IUPAC name of 4-[2-(dimethylamino)-3-methoxybut-3-enyl]phenol (CID 22946570) is 4-[2-(dimethylamino)-3-methoxybut-3-enyl]phenol.
What is the SMILES notation for 4-[2-(dimethylamino)-3-methoxybut-3-enyl]phenol?
The canonical SMILES for 4-[2-(dimethylamino)-3-methoxybut-3-enyl]phenol is C=C(OC)C(Cc1ccc(O)cc1)N(C)C.
What is the InChIKey of 4-[2-(dimethylamino)-3-methoxybut-3-enyl]phenol?
The InChIKey is VAEPCSDFZZATOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10(16-4)13(14(2)3)9-11-5-7-12(15)8-6-11/h5-8,13,15H,1,9H2,2-4H3.
What are the key properties of 4-[2-(dimethylamino)-3-methoxybut-3-enyl]phenol?
4-[2-(dimethylamino)-3-methoxybut-3-enyl]phenol has a molecular weight of 221.30 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)-3-methoxybut-3-enyl]phenol is sourced from PubChem (CID 22946570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).