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

C14H19NO — CID 115693427

IUPAC2-[(cyclohex-2-en-1-ylamino)methyl]-4-methylphenol
SMILESCc1ccc(O)c(CNC2C=CCCC2)c1
InChIInChI=1S/C14H19NO/c1-11-7-8-14(16)12(9-11)10-15-13-5-3-2-4-6-13/h3,5,7-9,13,15-16H,2,4,6,10H2,1H3
InChIKeyLXXHKYHRMLZLBW-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.90
Rot. Bonds3

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

2-[(cyclohex-2-en-1-ylamino)methyl]-4-methylphenol (PubChem CID 115693427) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-[(cyclohex-2-en-1-ylamino)methyl]-4-methylphenol.

Molecular Properties

Compound Name2-[(cyclohex-2-en-1-ylamino)methyl]-4-methylphenol
PubChem CID115693427
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name2-[(cyclohex-2-en-1-ylamino)methyl]-4-methylphenol
SMILESCc1ccc(O)c(CNC2C=CCCC2)c1
InChIInChI=1S/C14H19NO/c1-11-7-8-14(16)12(9-11)10-15-13-5-3-2-4-6-13/h3,5,7-9,13,15-16H,2,4,6,10H2,1H3
InChIKeyLXXHKYHRMLZLBW-UHFFFAOYSA-N
XLogP2.90
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.90
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-[[[(2E)-cyclooct-2-en-1-yl]amino]methyl]phenol
CID 114227893
N-[(5-fluoro-2-methylphenyl)methyl]cyclohex-2-en-1-amine
CID 115968267
[4-[(cyclohex-2-en-1-ylamino)methyl]phenyl]methanol
CID 107908377
4-[(cyclohex-2-en-1-ylamino)methyl]phenol
CID 103953716
4-methyl-2-[(3-tricyclo[3.2.1.02,4]octanylamino)methyl]phenol
CID 114095624
4-methyl-2-[[(2-methylsulfanylcyclohexyl)amino]methyl]phenol
CID 113240107
2-[(cyclohex-3-en-1-ylmethylamino)methyl]-4-methylphenol
CID 63325012
1-[4-[(2-hydroxy-5-methylphenyl)methylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 63324768
2-[(2-cyclopentylethylamino)methyl]-4-methylphenol
CID 63324647
2-[[(2-cyclopropyloxolan-3-yl)amino]methyl]-4-methylphenol
CID 113341265

Frequently Asked Questions

What is the IUPAC name of 2-[(cyclohex-2-en-1-ylamino)methyl]-4-methylphenol?
The IUPAC name of 2-[(cyclohex-2-en-1-ylamino)methyl]-4-methylphenol (CID 115693427) is 2-[(cyclohex-2-en-1-ylamino)methyl]-4-methylphenol.
What is the SMILES notation for 2-[(cyclohex-2-en-1-ylamino)methyl]-4-methylphenol?
The canonical SMILES for 2-[(cyclohex-2-en-1-ylamino)methyl]-4-methylphenol is Cc1ccc(O)c(CNC2C=CCCC2)c1.
What is the InChIKey of 2-[(cyclohex-2-en-1-ylamino)methyl]-4-methylphenol?
The InChIKey is LXXHKYHRMLZLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-11-7-8-14(16)12(9-11)10-15-13-5-3-2-4-6-13/h3,5,7-9,13,15-16H,2,4,6,10H2,1H3.
What are the key properties of 2-[(cyclohex-2-en-1-ylamino)methyl]-4-methylphenol?
2-[(cyclohex-2-en-1-ylamino)methyl]-4-methylphenol has a molecular weight of 217.31 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclohex-2-en-1-ylamino)methyl]-4-methylphenol is sourced from PubChem (CID 115693427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).