4-methyl-2-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]phenol

C18H27NO — CID 63427518

IUPAC4-methyl-2-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]phenol
SMILESCc1ccc(O)c(CNC2CC3CCC2(C)C3(C)C)c1
InChIInChI=1S/C18H27NO/c1-12-5-6-15(20)13(9-12)11-19-16-10-14-7-8-18(16,4)17(14,2)3/h5-6,9,14,16,19-20H,7-8,10-11H2,1-4H3
InChIKeyQCDUYDREQXZKSI-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.01
Rot. Bonds3

About 4-methyl-2-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]phenol

4-methyl-2-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]phenol (PubChem CID 63427518) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 4-methyl-2-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]phenol.

Molecular Properties

Compound Name4-methyl-2-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]phenol
PubChem CID63427518
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name4-methyl-2-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]phenol
SMILESCc1ccc(O)c(CNC2CC3CCC2(C)C3(C)C)c1
InChIInChI=1S/C18H27NO/c1-12-5-6-15(20)13(9-12)11-19-16-10-14-7-8-18(16,4)17(14,2)3/h5-6,9,14,16,19-20H,7-8,10-11H2,1-4H3
InChIKeyQCDUYDREQXZKSI-UHFFFAOYSA-N
XLogP4.01
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.01
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

4-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]benzene-1,2,3-triol
CID 103953120
N-[(2-bromo-5-chlorophenyl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 66161061
(1S,2R,4R)-1,7,7-trimethyl-N-[(5-methylthiophen-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 99846801
1,7,7-trimethyl-N-(pyridin-4-ylmethyl)bicyclo[2.2.1]heptan-2-amine
CID 43222723
1,7,7-trimethyl-N-[(3-methylfuran-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 115651580
N-(1,3-benzodioxol-5-ylmethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 43222587
4-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]benzoic acid
CID 65347721
4-methyl-2-[(3-tricyclo[3.2.1.02,4]octanylamino)methyl]phenol
CID 114095624
(1S,2R,4S)-N-[(4-methoxyphenyl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride
CID 23619995
1,7,7-trimethyl-N-(1H-pyrrol-3-ylmethyl)bicyclo[2.2.1]heptan-2-amine
CID 66408508
(1S)-1,7,7-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine
CID 139370439
N-[(5-ethylthiophen-2-yl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 55221859

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]phenol?
The IUPAC name of 4-methyl-2-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]phenol (CID 63427518) is 4-methyl-2-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]phenol.
What is the SMILES notation for 4-methyl-2-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]phenol?
The canonical SMILES for 4-methyl-2-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]phenol is Cc1ccc(O)c(CNC2CC3CCC2(C)C3(C)C)c1.
What is the InChIKey of 4-methyl-2-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]phenol?
The InChIKey is QCDUYDREQXZKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-12-5-6-15(20)13(9-12)11-19-16-10-14-7-8-18(16,4)17(14,2)3/h5-6,9,14,16,19-20H,7-8,10-11H2,1-4H3.
What are the key properties of 4-methyl-2-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]phenol?
4-methyl-2-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]phenol has a molecular weight of 273.42 g/mol, XLogP of 4.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]phenol is sourced from PubChem (CID 63427518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).