4-methyl-2-[(3-tricyclo[3.2.1.02,4]octanylamino)methyl]phenol

C16H21NO — CID 114095624

IUPAC4-methyl-2-[(3-tricyclo[3.2.1.02,4]octanylamino)methyl]phenol
SMILESCc1ccc(O)c(CNC2C3C4CCC(C4)C23)c1
InChIInChI=1S/C16H21NO/c1-9-2-5-13(18)12(6-9)8-17-16-14-10-3-4-11(7-10)15(14)16/h2,5-6,10-11,14-18H,3-4,7-8H2,1H3
InChIKeyHCFQWGSTEHVXKE-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.83
Rot. Bonds3

About 4-methyl-2-[(3-tricyclo[3.2.1.02,4]octanylamino)methyl]phenol

4-methyl-2-[(3-tricyclo[3.2.1.02,4]octanylamino)methyl]phenol (PubChem CID 114095624) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 4-methyl-2-[(3-tricyclo[3.2.1.02,4]octanylamino)methyl]phenol.

Molecular Properties

Compound Name4-methyl-2-[(3-tricyclo[3.2.1.02,4]octanylamino)methyl]phenol
PubChem CID114095624
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name4-methyl-2-[(3-tricyclo[3.2.1.02,4]octanylamino)methyl]phenol
SMILESCc1ccc(O)c(CNC2C3C4CCC(C4)C23)c1
InChIInChI=1S/C16H21NO/c1-9-2-5-13(18)12(6-9)8-17-16-14-10-3-4-11(7-10)15(14)16/h2,5-6,10-11,14-18H,3-4,7-8H2,1H3
InChIKeyHCFQWGSTEHVXKE-UHFFFAOYSA-N
XLogP2.83
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[(2-cyclopropyloxolan-3-yl)amino]methyl]-4-methylphenol
CID 113341265
2-[(2-cyclopropylpropan-2-ylamino)methyl]-4-methylphenol
CID 103700268
2-[(cyclohex-2-en-1-ylamino)methyl]-4-methylphenol
CID 115693427
4-methyl-2-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]phenol
CID 63427518
4-methyl-2-[[(2-methylsulfanylcyclohexyl)amino]methyl]phenol
CID 113240107
2-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]-4-methylphenol
CID 78959743
2-[(1-adamantylamino)methyl]-4-methylphenol
CID 63323320
1-[4-[(2-hydroxy-5-methylphenyl)methylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 63324768
2-[(2-cyclopentylethylamino)methyl]-4-methylphenol
CID 63324647
4-methyl-2-[[(1-methylpiperidin-4-yl)methylamino]methyl]phenol
CID 63324621
2-[(cyclohex-3-en-1-ylmethylamino)methyl]-4-methylphenol
CID 63325012
3-fluoro-5-[(3-tricyclo[3.2.1.02,4]octanylamino)methyl]phenol
CID 114095653

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(3-tricyclo[3.2.1.02,4]octanylamino)methyl]phenol?
The IUPAC name of 4-methyl-2-[(3-tricyclo[3.2.1.02,4]octanylamino)methyl]phenol (CID 114095624) is 4-methyl-2-[(3-tricyclo[3.2.1.02,4]octanylamino)methyl]phenol.
What is the SMILES notation for 4-methyl-2-[(3-tricyclo[3.2.1.02,4]octanylamino)methyl]phenol?
The canonical SMILES for 4-methyl-2-[(3-tricyclo[3.2.1.02,4]octanylamino)methyl]phenol is Cc1ccc(O)c(CNC2C3C4CCC(C4)C23)c1.
What is the InChIKey of 4-methyl-2-[(3-tricyclo[3.2.1.02,4]octanylamino)methyl]phenol?
The InChIKey is HCFQWGSTEHVXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-9-2-5-13(18)12(6-9)8-17-16-14-10-3-4-11(7-10)15(14)16/h2,5-6,10-11,14-18H,3-4,7-8H2,1H3.
What are the key properties of 4-methyl-2-[(3-tricyclo[3.2.1.02,4]octanylamino)methyl]phenol?
4-methyl-2-[(3-tricyclo[3.2.1.02,4]octanylamino)methyl]phenol has a molecular weight of 243.35 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(3-tricyclo[3.2.1.02,4]octanylamino)methyl]phenol is sourced from PubChem (CID 114095624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).