5-(4-amino-3-methoxyanilino)pentan-1-ol

C12H20N2O2 — CID 107316403

IUPAC5-(4-amino-3-methoxyanilino)pentan-1-ol
SMILESCOc1cc(NCCCCCO)ccc1N
InChIInChI=1S/C12H20N2O2/c1-16-12-9-10(5-6-11(12)13)14-7-3-2-4-8-15/h5-6,9,14-15H,2-4,7-8,13H2,1H3
InChIKeyXDCGLXKZJYJNIT-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.85
Rot. Bonds7

About 5-(4-amino-3-methoxyanilino)pentan-1-ol

5-(4-amino-3-methoxyanilino)pentan-1-ol (PubChem CID 107316403) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 5-(4-amino-3-methoxyanilino)pentan-1-ol.

Molecular Properties

Compound Name5-(4-amino-3-methoxyanilino)pentan-1-ol
PubChem CID107316403
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name5-(4-amino-3-methoxyanilino)pentan-1-ol
SMILESCOc1cc(NCCCCCO)ccc1N
InChIInChI=1S/C12H20N2O2/c1-16-12-9-10(5-6-11(12)13)14-7-3-2-4-8-15/h5-6,9,14-15H,2-4,7-8,13H2,1H3
InChIKeyXDCGLXKZJYJNIT-UHFFFAOYSA-N
XLogP1.85
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(4-amino-3-methoxyanilino)propoxy]ethanol
CID 106308975
2-methoxy-4-N-(6-methylsulfanylhexyl)benzene-1,4-diamine
CID 114124775
2-methoxy-4-N-[3-[methyl(propan-2-yl)amino]propyl]benzene-1,4-diamine
CID 106036754
4-(3-tert-butyl-4-methoxyanilino)butan-1-ol
CID 115217345
3-(4-bromo-3-methoxyanilino)propan-1-ol
CID 80526981
4-[(6-methoxynaphthalen-2-yl)amino]butan-1-ol
CID 115217433
2-(3-amino-4-methoxyanilino)ethanol;hydrochloride
CID 154637919
4-(2-amino-4-fluoro-5-methoxyanilino)butan-1-ol
CID 106840294
2-methoxy-4-N-[2-(trifluoromethylsulfanyl)ethyl]benzene-1,4-diamine
CID 114187380
3-(3-tert-butyl-4-methoxyanilino)propan-1-ol
CID 115216613
2-[2-amino-5-(6-hydroxyhexylamino)phenyl]acetonitrile
CID 107843953
3-(4-amino-3-methoxyanilino)-N-propylpropanamide
CID 63676677

Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-3-methoxyanilino)pentan-1-ol?
The IUPAC name of 5-(4-amino-3-methoxyanilino)pentan-1-ol (CID 107316403) is 5-(4-amino-3-methoxyanilino)pentan-1-ol.
What is the SMILES notation for 5-(4-amino-3-methoxyanilino)pentan-1-ol?
The canonical SMILES for 5-(4-amino-3-methoxyanilino)pentan-1-ol is COc1cc(NCCCCCO)ccc1N.
What is the InChIKey of 5-(4-amino-3-methoxyanilino)pentan-1-ol?
The InChIKey is XDCGLXKZJYJNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-16-12-9-10(5-6-11(12)13)14-7-3-2-4-8-15/h5-6,9,14-15H,2-4,7-8,13H2,1H3.
What are the key properties of 5-(4-amino-3-methoxyanilino)pentan-1-ol?
5-(4-amino-3-methoxyanilino)pentan-1-ol has a molecular weight of 224.30 g/mol, XLogP of 1.85, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-3-methoxyanilino)pentan-1-ol is sourced from PubChem (CID 107316403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).