3-(3-amino-4-methoxyphenyl)prop-2-en-1-ol

C10H13NO2 — CID 66664968

IUPAC3-(3-amino-4-methoxyphenyl)prop-2-en-1-ol
SMILESCOc1ccc(C=CCO)cc1N
InChIInChI=1S/C10H13NO2/c1-13-10-5-4-8(3-2-6-12)7-9(10)11/h2-5,7,12H,6,11H2,1H3
InChIKeyLQICCOKQYGVLPL-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.28
Rot. Bonds3

About 3-(3-amino-4-methoxyphenyl)prop-2-en-1-ol

3-(3-amino-4-methoxyphenyl)prop-2-en-1-ol (PubChem CID 66664968) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 3-(3-amino-4-methoxyphenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name3-(3-amino-4-methoxyphenyl)prop-2-en-1-ol
PubChem CID66664968
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name3-(3-amino-4-methoxyphenyl)prop-2-en-1-ol
SMILESCOc1ccc(C=CCO)cc1N
InChIInChI=1S/C10H13NO2/c1-13-10-5-4-8(3-2-6-12)7-9(10)11/h2-5,7,12H,6,11H2,1H3
InChIKeyLQICCOKQYGVLPL-UHFFFAOYSA-N
XLogP1.28
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-amino-4-hydroperoxyphenyl)prop-2-en-1-ol
CID 123425328
(E)-3-(4-methoxy-3-methylphenyl)prop-2-en-1-ol
CID 59912945
5-(3-hydroxyprop-1-enyl)-2-methoxyphenol
CID 79334673
2-amino-4-[(E)-3-hydroxyprop-1-enyl]-6-methoxyphenol
CID 25033053
3-[3-(chloromethyl)-4-methoxyphenyl]prop-2-en-1-ol
CID 169454426
2-methoxy-5-[(Z)-prop-1-enyl]aniline
CID 45052602
2-methoxy-5-prop-1-enylaniline
CID 853489
(E)-3-(4-chloro-3-methoxyphenyl)prop-2-en-1-ol
CID 130131205
2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]aniline
CID 53415045
3-[4-methoxy-3-(3-methylbut-2-enoxy)phenyl]prop-2-en-1-ol
CID 163079433
3-(5-amino-2-methoxyphenyl)prop-2-en-1-ol
CID 169453414
4-[(E)-3-hydroxyprop-1-enyl]-2-methoxybenzoic acid
CID 101130006

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-4-methoxyphenyl)prop-2-en-1-ol?
The IUPAC name of 3-(3-amino-4-methoxyphenyl)prop-2-en-1-ol (CID 66664968) is 3-(3-amino-4-methoxyphenyl)prop-2-en-1-ol.
What is the SMILES notation for 3-(3-amino-4-methoxyphenyl)prop-2-en-1-ol?
The canonical SMILES for 3-(3-amino-4-methoxyphenyl)prop-2-en-1-ol is COc1ccc(C=CCO)cc1N.
What is the InChIKey of 3-(3-amino-4-methoxyphenyl)prop-2-en-1-ol?
The InChIKey is LQICCOKQYGVLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-13-10-5-4-8(3-2-6-12)7-9(10)11/h2-5,7,12H,6,11H2,1H3.
What are the key properties of 3-(3-amino-4-methoxyphenyl)prop-2-en-1-ol?
3-(3-amino-4-methoxyphenyl)prop-2-en-1-ol has a molecular weight of 179.22 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-4-methoxyphenyl)prop-2-en-1-ol is sourced from PubChem (CID 66664968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).