3-[(dodecylamino)methyl]phenol

C19H33NO — CID 44563801

IUPAC3-[(dodecylamino)methyl]phenol
SMILESCCCCCCCCCCCCNCc1cccc(O)c1
InChIInChI=1S/C19H33NO/c1-2-3-4-5-6-7-8-9-10-11-15-20-17-18-13-12-14-19(21)16-18/h12-14,16,20-21H,2-11,15,17H2,1H3
InChIKeyNWEAUIOBGAAMKG-UHFFFAOYSA-N
MW291.48 g/mol
LogP5.40
Rot. Bonds13

About 3-[(dodecylamino)methyl]phenol

3-[(dodecylamino)methyl]phenol (PubChem CID 44563801) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 3-[(dodecylamino)methyl]phenol.

Molecular Properties

Compound Name3-[(dodecylamino)methyl]phenol
PubChem CID44563801
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name3-[(dodecylamino)methyl]phenol
SMILESCCCCCCCCCCCCNCc1cccc(O)c1
InChIInChI=1S/C19H33NO/c1-2-3-4-5-6-7-8-9-10-11-15-20-17-18-13-12-14-19(21)16-18/h12-14,16,20-21H,2-11,15,17H2,1H3
InChIKeyNWEAUIOBGAAMKG-UHFFFAOYSA-N
XLogP5.40
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.48
LogP ≤ 55.40
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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Frequently Asked Questions

What is the IUPAC name of 3-[(dodecylamino)methyl]phenol?
The IUPAC name of 3-[(dodecylamino)methyl]phenol (CID 44563801) is 3-[(dodecylamino)methyl]phenol.
What is the SMILES notation for 3-[(dodecylamino)methyl]phenol?
The canonical SMILES for 3-[(dodecylamino)methyl]phenol is CCCCCCCCCCCCNCc1cccc(O)c1.
What is the InChIKey of 3-[(dodecylamino)methyl]phenol?
The InChIKey is NWEAUIOBGAAMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-2-3-4-5-6-7-8-9-10-11-15-20-17-18-13-12-14-19(21)16-18/h12-14,16,20-21H,2-11,15,17H2,1H3.
What are the key properties of 3-[(dodecylamino)methyl]phenol?
3-[(dodecylamino)methyl]phenol has a molecular weight of 291.48 g/mol, XLogP of 5.40, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dodecylamino)methyl]phenol is sourced from PubChem (CID 44563801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).