3-(3-amino-4-methoxyanilino)prop-1-en-1-ol

C10H14N2O2 — CID 68967625

IUPAC3-(3-amino-4-methoxyanilino)prop-1-en-1-ol
SMILESCOc1ccc(NCC=CO)cc1N
InChIInChI=1S/C10H14N2O2/c1-14-10-4-3-8(7-9(10)11)12-5-2-6-13/h2-4,6-7,12-13H,5,11H2,1H3
InChIKeyNPZGVQJLGOGMAT-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.76
Rot. Bonds4

About 3-(3-amino-4-methoxyanilino)prop-1-en-1-ol

3-(3-amino-4-methoxyanilino)prop-1-en-1-ol (PubChem CID 68967625) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 3-(3-amino-4-methoxyanilino)prop-1-en-1-ol.

Molecular Properties

Compound Name3-(3-amino-4-methoxyanilino)prop-1-en-1-ol
PubChem CID68967625
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name3-(3-amino-4-methoxyanilino)prop-1-en-1-ol
SMILESCOc1ccc(NCC=CO)cc1N
InChIInChI=1S/C10H14N2O2/c1-14-10-4-3-8(7-9(10)11)12-5-2-6-13/h2-4,6-7,12-13H,5,11H2,1H3
InChIKeyNPZGVQJLGOGMAT-UHFFFAOYSA-N
XLogP1.76
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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3,4-dimethoxy-N-(3-methylbut-2-enyl)aniline
CID 103604390
N-(3-amino-4-methoxyphenyl)but-2-enamide
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N-(3-amino-4-methoxyphenyl)-2-(diethylamino)acetamide;dihydrochloride
CID 119419045
N-(3-amino-4-methoxyphenyl)octadecanamide
CID 11361725
N-(3-amino-4-methoxyphenyl)-2-methylbutanamide
CID 43599878
N-(3-amino-4-methoxyphenyl)methanesulfonamide
CID 10560665
3-(3-amino-4-methoxyphenyl)prop-2-en-1-ol
CID 66664968
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Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-4-methoxyanilino)prop-1-en-1-ol?
The IUPAC name of 3-(3-amino-4-methoxyanilino)prop-1-en-1-ol (CID 68967625) is 3-(3-amino-4-methoxyanilino)prop-1-en-1-ol.
What is the SMILES notation for 3-(3-amino-4-methoxyanilino)prop-1-en-1-ol?
The canonical SMILES for 3-(3-amino-4-methoxyanilino)prop-1-en-1-ol is COc1ccc(NCC=CO)cc1N.
What is the InChIKey of 3-(3-amino-4-methoxyanilino)prop-1-en-1-ol?
The InChIKey is NPZGVQJLGOGMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-14-10-4-3-8(7-9(10)11)12-5-2-6-13/h2-4,6-7,12-13H,5,11H2,1H3.
What are the key properties of 3-(3-amino-4-methoxyanilino)prop-1-en-1-ol?
3-(3-amino-4-methoxyanilino)prop-1-en-1-ol has a molecular weight of 194.23 g/mol, XLogP of 1.76, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-4-methoxyanilino)prop-1-en-1-ol is sourced from PubChem (CID 68967625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).