2-[[[(2E)-cyclooct-2-en-1-yl]amino]methyl]phenol

C15H21NO — CID 114227893

IUPAC2-[[[(2E)-cyclooct-2-en-1-yl]amino]methyl]phenol
SMILESOc1ccccc1CNC1/C=C\CCCCC1
InChIInChI=1S/C15H21NO/c17-15-11-7-6-8-13(15)12-16-14-9-4-2-1-3-5-10-14/h4,6-9,11,14,16-17H,1-3,5,10,12H2/b9-4-
InChIKeyFNCBYEOOUHIBMC-WTKPLQERSA-N
MW231.34 g/mol
LogP3.37
Rot. Bonds3

About 2-[[[(2E)-cyclooct-2-en-1-yl]amino]methyl]phenol

2-[[[(2E)-cyclooct-2-en-1-yl]amino]methyl]phenol (PubChem CID 114227893) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-[[[(2E)-cyclooct-2-en-1-yl]amino]methyl]phenol.

Molecular Properties

Compound Name2-[[[(2E)-cyclooct-2-en-1-yl]amino]methyl]phenol
PubChem CID114227893
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name2-[[[(2E)-cyclooct-2-en-1-yl]amino]methyl]phenol
SMILESOc1ccccc1CNC1/C=C\CCCCC1
InChIInChI=1S/C15H21NO/c17-15-11-7-6-8-13(15)12-16-14-9-4-2-1-3-5-10-14/h4,6-9,11,14,16-17H,1-3,5,10,12H2/b9-4-
InChIKeyFNCBYEOOUHIBMC-WTKPLQERSA-N
XLogP3.37
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-[(cyclohex-2-en-1-ylamino)methyl]phenol
CID 115693366
4-bromo-2-[(cyclohex-2-en-1-ylamino)methyl]phenol
CID 115693409
2-[(cyclohex-2-en-1-ylamino)methyl]-4-methylphenol
CID 115693427
2-[[[(2R)-2-[(2-hydroxyphenyl)methylamino]cyclohexyl]amino]methyl]phenol
CID 138615280
4-[(cyclohex-2-en-1-ylamino)methyl]phenol
CID 103953716
2-[(2-hydroxyphenyl)methylamino]cycloheptan-1-ol
CID 113394671
2-[[[(1R,2R)-2-[(2-hydroxyphenyl)methylamino]cyclohexyl]amino]methyl]phenol;platinum(2+);dichloride
CID 25192413
[4-[(cyclohex-2-en-1-ylamino)methyl]phenyl]methanol
CID 107908377
2-[(thian-4-ylamino)methyl]phenol
CID 115603400
2-[[[(1R,2R)-2-hydroxycyclopentyl]amino]methyl]phenol
CID 102734194
N-propylcyclooct-2-en-1-amine
CID 123644376
2-(cyclobutylmethyl)phenol
CID 115012772

Frequently Asked Questions

What is the IUPAC name of 2-[[[(2E)-cyclooct-2-en-1-yl]amino]methyl]phenol?
The IUPAC name of 2-[[[(2E)-cyclooct-2-en-1-yl]amino]methyl]phenol (CID 114227893) is 2-[[[(2E)-cyclooct-2-en-1-yl]amino]methyl]phenol.
What is the SMILES notation for 2-[[[(2E)-cyclooct-2-en-1-yl]amino]methyl]phenol?
The canonical SMILES for 2-[[[(2E)-cyclooct-2-en-1-yl]amino]methyl]phenol is Oc1ccccc1CNC1/C=C\CCCCC1.
What is the InChIKey of 2-[[[(2E)-cyclooct-2-en-1-yl]amino]methyl]phenol?
The InChIKey is FNCBYEOOUHIBMC-WTKPLQERSA-N. The full InChI is InChI=1S/C15H21NO/c17-15-11-7-6-8-13(15)12-16-14-9-4-2-1-3-5-10-14/h4,6-9,11,14,16-17H,1-3,5,10,12H2/b9-4-.
What are the key properties of 2-[[[(2E)-cyclooct-2-en-1-yl]amino]methyl]phenol?
2-[[[(2E)-cyclooct-2-en-1-yl]amino]methyl]phenol has a molecular weight of 231.34 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(2E)-cyclooct-2-en-1-yl]amino]methyl]phenol is sourced from PubChem (CID 114227893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).