4-[(cyclohex-2-en-1-ylamino)methyl]phenol

C13H17NO — CID 103953716

IUPAC4-[(cyclohex-2-en-1-ylamino)methyl]phenol
SMILESOc1ccc(CNC2C=CCCC2)cc1
InChIInChI=1S/C13H17NO/c15-13-8-6-11(7-9-13)10-14-12-4-2-1-3-5-12/h2,4,6-9,12,14-15H,1,3,5,10H2
InChIKeySODKYWPLBCQDGD-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.59
Rot. Bonds3

About 4-[(cyclohex-2-en-1-ylamino)methyl]phenol

4-[(cyclohex-2-en-1-ylamino)methyl]phenol (PubChem CID 103953716) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 4-[(cyclohex-2-en-1-ylamino)methyl]phenol.

Molecular Properties

Compound Name4-[(cyclohex-2-en-1-ylamino)methyl]phenol
PubChem CID103953716
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name4-[(cyclohex-2-en-1-ylamino)methyl]phenol
SMILESOc1ccc(CNC2C=CCCC2)cc1
InChIInChI=1S/C13H17NO/c15-13-8-6-11(7-9-13)10-14-12-4-2-1-3-5-12/h2,4,6-9,12,14-15H,1,3,5,10H2
InChIKeySODKYWPLBCQDGD-UHFFFAOYSA-N
XLogP2.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-[(cyclohex-2-en-1-ylamino)methyl]phenyl]methanol
CID 107908377
(1S)-N-[(4-fluorophenyl)methyl]cyclohex-2-en-1-amine
CID 122395364
4-[(cyclopentylamino)methyl]phenol
CID 3873791
2-[[[(2E)-cyclooct-2-en-1-yl]amino]methyl]phenol
CID 114227893
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
4-[[[4-(hydroxymethyl)cyclohexyl]amino]methyl]phenol
CID 112753322
N-[(1-propan-2-ylpyrazol-4-yl)methyl]cyclohex-2-en-1-amine
CID 115693401
4-[[(4-propan-2-ylcycloheptyl)amino]methyl]phenol
CID 114331412
4-cyclohex-2-en-1-ylphenol
CID 13414842
N-[(2-methoxy-4-pyridinyl)methyl]cyclohex-2-en-1-amine
CID 107906947

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclohex-2-en-1-ylamino)methyl]phenol?
The IUPAC name of 4-[(cyclohex-2-en-1-ylamino)methyl]phenol (CID 103953716) is 4-[(cyclohex-2-en-1-ylamino)methyl]phenol.
What is the SMILES notation for 4-[(cyclohex-2-en-1-ylamino)methyl]phenol?
The canonical SMILES for 4-[(cyclohex-2-en-1-ylamino)methyl]phenol is Oc1ccc(CNC2C=CCCC2)cc1.
What is the InChIKey of 4-[(cyclohex-2-en-1-ylamino)methyl]phenol?
The InChIKey is SODKYWPLBCQDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c15-13-8-6-11(7-9-13)10-14-12-4-2-1-3-5-12/h2,4,6-9,12,14-15H,1,3,5,10H2.
What are the key properties of 4-[(cyclohex-2-en-1-ylamino)methyl]phenol?
4-[(cyclohex-2-en-1-ylamino)methyl]phenol has a molecular weight of 203.29 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclohex-2-en-1-ylamino)methyl]phenol is sourced from PubChem (CID 103953716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).