N-methyl-2-[[(1R,2S,4R)-1,7,7-trimethyl-2-phenyl-2-bicyclo[2.2.1]heptanyl]oxy]ethanamine

C19H29NO — CID 57188424

IUPACN-methyl-2-[[(1R,2S,4R)-1,7,7-trimethyl-2-phenyl-2-bicyclo[2.2.1]heptanyl]oxy]ethanamine
SMILESCNCCO[C@]1(c2ccccc2)C[C@H]2CC[C@]1(C)C2(C)C
InChIInChI=1S/C19H29NO/c1-17(2)16-10-11-18(17,3)19(14-16,21-13-12-20-4)15-8-6-5-7-9-15/h5-9,16,20H,10-14H2,1-4H3/t16-,18-,19+/m1/s1
InChIKeyKTVWFUOXICTLAW-QRQLOZEOSA-N
MW287.45 g/mol
LogP3.96
Rot. Bonds5

About N-methyl-2-[[(1R,2S,4R)-1,7,7-trimethyl-2-phenyl-2-bicyclo[2.2.1]heptanyl]oxy]ethanamine

N-methyl-2-[[(1R,2S,4R)-1,7,7-trimethyl-2-phenyl-2-bicyclo[2.2.1]heptanyl]oxy]ethanamine (PubChem CID 57188424) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is N-methyl-2-[[(1R,2S,4R)-1,7,7-trimethyl-2-phenyl-2-bicyclo[2.2.1]heptanyl]oxy]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[[(1R,2S,4R)-1,7,7-trimethyl-2-phenyl-2-bicyclo[2.2.1]heptanyl]oxy]ethanamine
PubChem CID57188424
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC NameN-methyl-2-[[(1R,2S,4R)-1,7,7-trimethyl-2-phenyl-2-bicyclo[2.2.1]heptanyl]oxy]ethanamine
SMILESCNCCO[C@]1(c2ccccc2)C[C@H]2CC[C@]1(C)C2(C)C
InChIInChI=1S/C19H29NO/c1-17(2)16-10-11-18(17,3)19(14-16,21-13-12-20-4)15-8-6-5-7-9-15/h5-9,16,20H,10-14H2,1-4H3/t16-,18-,19+/m1/s1
InChIKeyKTVWFUOXICTLAW-QRQLOZEOSA-N
XLogP3.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-methyl-2-[[(1R,2S,4R)-1,7,7-trimethyl-2-phenyl-2-bicyclo[2.2.1]heptanyl]oxy]ethanamine with MolForge

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Related Compounds

Deramciclane
CID 119590
Dimethyl-[2-(1,7,7-trimethyl-2-phenyl-bicyclo[2.2.1]hept-2-yloxy)-ethyl]-amine
CID 9888224
N-methyl-2-[(1,7,7-trimethyl-2-phenyl-2-bicyclo[2.2.1]heptanyl)oxy]ethanamine
CID 9865894
Ethylamine, N,N-dimethyl-2-((2-methyl-1-o-tolylcyclohexyl)oxy)-, hydrochloride
CID 25848
Ethylamine, 2-((2-tert-butyl-1-(o-ethylphenyl)cyclohexyl)oxy)-N,N-dimethyl-, hydrochloride
CID 26754
Ethylamine, 2-((2-benzyl-1-indanyl)oxy)-N,N-dimethyl-, hydrochloride, trans-
CID 26827
Ramciclane
CID 3052772
2-[[(1R,4S)-2-benzyl-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]-N,N-dimethylethanamine
CID 51346381
Deramciclane N-oxide
CID 88200129
2-[[1,7-dimethyl-2-phenyl-7-(trifluoromethyl)-2-bicyclo[2.2.1]heptanyl]oxy]-N,N-bis(trifluoromethyl)ethanamine
CID 135372715
N,N-dimethyl-2-[[1-methyl-2-phenyl-7,7-bis(trifluoromethyl)-2-bicyclo[2.2.1]heptanyl]oxy]ethanamine
CID 146423815
2-[[1,7-dimethyl-2-phenyl-7-(trifluoromethyl)-2-bicyclo[2.2.1]heptanyl]oxy]-N,N-dimethylethanamine
CID 146423851

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[(1R,2S,4R)-1,7,7-trimethyl-2-phenyl-2-bicyclo[2.2.1]heptanyl]oxy]ethanamine?
The IUPAC name of N-methyl-2-[[(1R,2S,4R)-1,7,7-trimethyl-2-phenyl-2-bicyclo[2.2.1]heptanyl]oxy]ethanamine (CID 57188424) is N-methyl-2-[[(1R,2S,4R)-1,7,7-trimethyl-2-phenyl-2-bicyclo[2.2.1]heptanyl]oxy]ethanamine.
What is the SMILES notation for N-methyl-2-[[(1R,2S,4R)-1,7,7-trimethyl-2-phenyl-2-bicyclo[2.2.1]heptanyl]oxy]ethanamine?
The canonical SMILES for N-methyl-2-[[(1R,2S,4R)-1,7,7-trimethyl-2-phenyl-2-bicyclo[2.2.1]heptanyl]oxy]ethanamine is CNCCO[C@]1(c2ccccc2)C[C@H]2CC[C@]1(C)C2(C)C.
What is the InChIKey of N-methyl-2-[[(1R,2S,4R)-1,7,7-trimethyl-2-phenyl-2-bicyclo[2.2.1]heptanyl]oxy]ethanamine?
The InChIKey is KTVWFUOXICTLAW-QRQLOZEOSA-N. The full InChI is InChI=1S/C19H29NO/c1-17(2)16-10-11-18(17,3)19(14-16,21-13-12-20-4)15-8-6-5-7-9-15/h5-9,16,20H,10-14H2,1-4H3/t16-,18-,19+/m1/s1.
What are the key properties of N-methyl-2-[[(1R,2S,4R)-1,7,7-trimethyl-2-phenyl-2-bicyclo[2.2.1]heptanyl]oxy]ethanamine?
N-methyl-2-[[(1R,2S,4R)-1,7,7-trimethyl-2-phenyl-2-bicyclo[2.2.1]heptanyl]oxy]ethanamine has a molecular weight of 287.45 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[(1R,2S,4R)-1,7,7-trimethyl-2-phenyl-2-bicyclo[2.2.1]heptanyl]oxy]ethanamine is sourced from PubChem (CID 57188424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).