3-(dodec-1-enylamino)-2-methylphenol

C19H31NO — CID 141397249

IUPAC3-(dodec-1-enylamino)-2-methylphenol
SMILESCCCCCCCCCCC=CNc1cccc(O)c1C
InChIInChI=1S/C19H31NO/c1-3-4-5-6-7-8-9-10-11-12-16-20-18-14-13-15-19(21)17(18)2/h12-16,20-21H,3-11H2,1-2H3
InChIKeyHSFRPAYAFDIUEN-UHFFFAOYSA-N
MW289.46 g/mol
LogP6.16
Rot. Bonds11

About 3-(dodec-1-enylamino)-2-methylphenol

3-(dodec-1-enylamino)-2-methylphenol (PubChem CID 141397249) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 3-(dodec-1-enylamino)-2-methylphenol.

Molecular Properties

Compound Name3-(dodec-1-enylamino)-2-methylphenol
PubChem CID141397249
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name3-(dodec-1-enylamino)-2-methylphenol
SMILESCCCCCCCCCCC=CNc1cccc(O)c1C
InChIInChI=1S/C19H31NO/c1-3-4-5-6-7-8-9-10-11-12-16-20-18-14-13-15-19(21)17(18)2/h12-16,20-21H,3-11H2,1-2H3
InChIKeyHSFRPAYAFDIUEN-UHFFFAOYSA-N
XLogP6.16
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.46
LogP ≤ 56.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-pentadec-1-enylphenol
CID 69052424
methyl 2-(oct-1-enylamino)benzoate
CID 175447057
3-hept-1-enyl-2-methylphenol
CID 140713587
acetylene;2-methyl-3-[(E)-non-1-enyl]phenol
CID 142088594
N-(3-hydroxy-2-methylphenyl)decanamide
CID 65426726
2-hexadec-5-enyl-3-methylbenzene-1,4-diol
CID 67637176
N-(3-hydroxy-2-methylphenyl)methanethioamide
CID 155298404
2-pentadeca-1,3,5-trienylbenzene-1,3-diol
CID 91476848
N-(3-hydroxy-2-methylphenyl)pentanamide
CID 64792889
(Z)-N-(2-hydroxyphenyl)octadec-9-enamide
CID 52916764
3-dec-1-enylbenzene-1,2-diol
CID 139606028
1,3-dimethyl-2-oct-1-enylsulfanylbenzene
CID 71416611

Frequently Asked Questions

What is the IUPAC name of 3-(dodec-1-enylamino)-2-methylphenol?
The IUPAC name of 3-(dodec-1-enylamino)-2-methylphenol (CID 141397249) is 3-(dodec-1-enylamino)-2-methylphenol.
What is the SMILES notation for 3-(dodec-1-enylamino)-2-methylphenol?
The canonical SMILES for 3-(dodec-1-enylamino)-2-methylphenol is CCCCCCCCCCC=CNc1cccc(O)c1C.
What is the InChIKey of 3-(dodec-1-enylamino)-2-methylphenol?
The InChIKey is HSFRPAYAFDIUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-3-4-5-6-7-8-9-10-11-12-16-20-18-14-13-15-19(21)17(18)2/h12-16,20-21H,3-11H2,1-2H3.
What are the key properties of 3-(dodec-1-enylamino)-2-methylphenol?
3-(dodec-1-enylamino)-2-methylphenol has a molecular weight of 289.46 g/mol, XLogP of 6.16, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dodec-1-enylamino)-2-methylphenol is sourced from PubChem (CID 141397249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).