5-(4-methoxyanilino)-7-methylnon-8-en-1-ol

C17H27NO2 — CID 102336379

IUPAC5-(4-methoxyanilino)-7-methylnon-8-en-1-ol
SMILESC=CC(C)CC(CCCCO)Nc1ccc(OC)cc1
InChIInChI=1S/C17H27NO2/c1-4-14(2)13-16(7-5-6-12-19)18-15-8-10-17(20-3)11-9-15/h4,8-11,14,16,18-19H,1,5-7,12-13H2,2-3H3
InChIKeyNMZRGMVHYUZJDC-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.85
Rot. Bonds10

About 5-(4-methoxyanilino)-7-methylnon-8-en-1-ol

5-(4-methoxyanilino)-7-methylnon-8-en-1-ol (PubChem CID 102336379) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 5-(4-methoxyanilino)-7-methylnon-8-en-1-ol.

Molecular Properties

Compound Name5-(4-methoxyanilino)-7-methylnon-8-en-1-ol
PubChem CID102336379
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name5-(4-methoxyanilino)-7-methylnon-8-en-1-ol
SMILESC=CC(C)CC(CCCCO)Nc1ccc(OC)cc1
InChIInChI=1S/C17H27NO2/c1-4-14(2)13-16(7-5-6-12-19)18-15-8-10-17(20-3)11-9-15/h4,8-11,14,16,18-19H,1,5-7,12-13H2,2-3H3
InChIKeyNMZRGMVHYUZJDC-UHFFFAOYSA-N
XLogP3.85
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(5S)-5-(4-methoxyphenoxy)hexan-1-ol
CID 11436040
(7E,10Z)-5-(4-methoxyanilino)-11-methyl-10-trimethylsilyltrideca-7,10-dien-1-ol
CID 102186696
(1S)-1-(4-methoxyphenyl)pentane-1,5-diol
CID 92859928
methyl 2-[1-(4-methoxyanilino)ethyl]but-3-enoate
CID 11543326
1-(2,6-dimethyloct-7-en-2-yloxymethyl)-4-methoxybenzene
CID 123339155
(4R)-4-(4-methoxyanilino)-6-methylheptan-2-one
CID 11425205
2-(4-methoxyanilino)-3,5-dimethylhexan-1-ol
CID 114201074
methyl (2R,3S)-3-amino-2-(4-methoxyanilino)butanoate
CID 10105611
4-methoxy-N-(6,6,6-trifluorohexan-2-yl)aniline
CID 116534060
(2S,3R)-2-butyl-3-(4-methoxyanilino)octan-1-ol
CID 11415574
1-(6-hydroxyhexyl)-3-(4-methoxyphenyl)urea
CID 103918690
4-methoxy-2-(4-methoxyanilino)-4-methylpentan-1-ol
CID 106676177

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyanilino)-7-methylnon-8-en-1-ol?
The IUPAC name of 5-(4-methoxyanilino)-7-methylnon-8-en-1-ol (CID 102336379) is 5-(4-methoxyanilino)-7-methylnon-8-en-1-ol.
What is the SMILES notation for 5-(4-methoxyanilino)-7-methylnon-8-en-1-ol?
The canonical SMILES for 5-(4-methoxyanilino)-7-methylnon-8-en-1-ol is C=CC(C)CC(CCCCO)Nc1ccc(OC)cc1.
What is the InChIKey of 5-(4-methoxyanilino)-7-methylnon-8-en-1-ol?
The InChIKey is NMZRGMVHYUZJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-4-14(2)13-16(7-5-6-12-19)18-15-8-10-17(20-3)11-9-15/h4,8-11,14,16,18-19H,1,5-7,12-13H2,2-3H3.
What are the key properties of 5-(4-methoxyanilino)-7-methylnon-8-en-1-ol?
5-(4-methoxyanilino)-7-methylnon-8-en-1-ol has a molecular weight of 277.41 g/mol, XLogP of 3.85, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyanilino)-7-methylnon-8-en-1-ol is sourced from PubChem (CID 102336379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).