2-[(dimethylamino)methyl]-4-methyl-6-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)phenol

C20H31NO — CID 142766092

IUPAC2-[(dimethylamino)methyl]-4-methyl-6-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)phenol
SMILESCc1cc(CN(C)C)c(O)c(C2CC3CCC2(C)C3(C)C)c1
InChIInChI=1S/C20H31NO/c1-13-9-14(12-21(5)6)18(22)16(10-13)17-11-15-7-8-20(17,4)19(15,2)3/h9-10,15,17,22H,7-8,11-12H2,1-6H3
InChIKeyFVHBAPPNUVCFFY-UHFFFAOYSA-N
MW301.47 g/mol
LogP4.69
Rot. Bonds3

About 2-[(dimethylamino)methyl]-4-methyl-6-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)phenol

2-[(dimethylamino)methyl]-4-methyl-6-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)phenol (PubChem CID 142766092) has the molecular formula C20H31NO and a molecular weight of 301.47 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-4-methyl-6-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)phenol.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-4-methyl-6-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)phenol
PubChem CID142766092
Molecular FormulaC20H31NO
Molecular Weight301.47 g/mol
Exact Mass301.24
IUPAC Name2-[(dimethylamino)methyl]-4-methyl-6-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)phenol
SMILESCc1cc(CN(C)C)c(O)c(C2CC3CCC2(C)C3(C)C)c1
InChIInChI=1S/C20H31NO/c1-13-9-14(12-21(5)6)18(22)16(10-13)17-11-15-7-8-20(17,4)19(15,2)3/h9-10,15,17,22H,7-8,11-12H2,1-6H3
InChIKeyFVHBAPPNUVCFFY-UHFFFAOYSA-N
XLogP4.69
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.47
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(dimethylamino)methyl]-4-methyl-6-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)phenol with MolForge

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Related Compounds

4-[[4-hydroxy-3-methyl-5-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phenyl]methyl]-2-methyl-6-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phenol
CID 66574063
4-(hydroxymethyl)-2,6-bis(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)phenol
CID 142768919
4-methyl-2-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]phenol
CID 63427518
2-[3-[(dimethylamino)methyl]-2-hydroxy-5-methylphenyl]acetic acid
CID 82392010
4-[[(1R)-1-phenylethyl]iminomethyl]-2,6-bis[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phenol
CID 137175881
5-[(5-chloro-2-hydroxyphenyl)methylamino]-2-hydroxy-3-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzoic acid
CID 90384577
4-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]benzene-1,2,3-triol
CID 103953120
2,6-dichloro-4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]phenol
CID 107679442
2-(2-aminopropyl)-6-[(dimethylamino)methyl]-4-methylphenol
CID 117318763
5-[[3-chloro-2-hydroxy-5-(trifluoromethyl)phenyl]methylamino]-2-hydroxy-3-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzoic acid
CID 90384470
2-methoxy-4-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phenol
CID 21119678
1,7,7-trimethyl-2-(2-methyl-3-phosphorosophenyl)bicyclo[2.2.1]heptane
CID 67639379

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-4-methyl-6-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)phenol?
The IUPAC name of 2-[(dimethylamino)methyl]-4-methyl-6-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)phenol (CID 142766092) is 2-[(dimethylamino)methyl]-4-methyl-6-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)phenol.
What is the SMILES notation for 2-[(dimethylamino)methyl]-4-methyl-6-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)phenol?
The canonical SMILES for 2-[(dimethylamino)methyl]-4-methyl-6-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)phenol is Cc1cc(CN(C)C)c(O)c(C2CC3CCC2(C)C3(C)C)c1.
What is the InChIKey of 2-[(dimethylamino)methyl]-4-methyl-6-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)phenol?
The InChIKey is FVHBAPPNUVCFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO/c1-13-9-14(12-21(5)6)18(22)16(10-13)17-11-15-7-8-20(17,4)19(15,2)3/h9-10,15,17,22H,7-8,11-12H2,1-6H3.
What are the key properties of 2-[(dimethylamino)methyl]-4-methyl-6-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)phenol?
2-[(dimethylamino)methyl]-4-methyl-6-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)phenol has a molecular weight of 301.47 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-4-methyl-6-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)phenol is sourced from PubChem (CID 142766092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).