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

C20H31NO — CID 98050284

IUPACN,N-dimethyl-2-[[(1R,2R,4S)-1,7,7-trimethyl-2-phenyl-2-bicyclo[2.2.1]heptanyl]oxy]ethanamine
SMILESCN(C)CCO[C@@]1(c2ccccc2)C[C@@H]2CC[C@]1(C)C2(C)C
InChIInChI=1S/C20H31NO/c1-18(2)17-11-12-19(18,3)20(15-17,22-14-13-21(4)5)16-9-7-6-8-10-16/h6-10,17H,11-15H2,1-5H3/t17-,19+,20+/m0/s1
InChIKeyQOBGWWQAMAPULA-DFQSSKMNSA-N
MW301.47 g/mol
LogP4.31
Rot. Bonds5

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

N,N-dimethyl-2-[[(1R,2R,4S)-1,7,7-trimethyl-2-phenyl-2-bicyclo[2.2.1]heptanyl]oxy]ethanamine (PubChem CID 98050284) has the molecular formula C20H31NO and a molecular weight of 301.47 g/mol. Its IUPAC name is N,N-dimethyl-2-[[(1R,2R,4S)-1,7,7-trimethyl-2-phenyl-2-bicyclo[2.2.1]heptanyl]oxy]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[[(1R,2R,4S)-1,7,7-trimethyl-2-phenyl-2-bicyclo[2.2.1]heptanyl]oxy]ethanamine
PubChem CID98050284
Molecular FormulaC20H31NO
Molecular Weight301.47 g/mol
Exact Mass301.24
IUPAC NameN,N-dimethyl-2-[[(1R,2R,4S)-1,7,7-trimethyl-2-phenyl-2-bicyclo[2.2.1]heptanyl]oxy]ethanamine
SMILESCN(C)CCO[C@@]1(c2ccccc2)C[C@@H]2CC[C@]1(C)C2(C)C
InChIInChI=1S/C20H31NO/c1-18(2)17-11-12-19(18,3)20(15-17,22-14-13-21(4)5)16-9-7-6-8-10-16/h6-10,17H,11-15H2,1-5H3/t17-,19+,20+/m0/s1
InChIKeyQOBGWWQAMAPULA-DFQSSKMNSA-N
XLogP4.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.47
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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Related Compounds

N,N-dimethyl-2-[[(1R,2S,4R)-1,7,7-trimethyl-2-phenyl-2-bicyclo[2.2.1]heptanyl]oxy]ethanamine;formic acid
CID 135372856
N,N-dimethyl-2-[[1-methyl-2-phenyl-7,7-bis(trifluoromethyl)-2-bicyclo[2.2.1]heptanyl]oxy]ethanamine
CID 146423815
(1,7,7-trimethyl-2-phenyl-2-bicyclo[2.2.1]heptanyl) propanoate
CID 150437541
(1R,2S,4R)-1,7,7-trimethyl-2-phenylbicyclo[2.2.1]heptan-2-ol
CID 10721413
3-[(2-benzyl-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]-N,N-dimethylpropan-1-amine;(E)-but-2-enedioic acid
CID 134114611
tert-butyl 2-[(1S)-5-[[(1R,2S,4R)-1,7,7-trimethyl-2-phenyl-2-bicyclo[2.2.1]heptanyl]oxy]cyclohexa-2,4-dien-1-yl]acetate
CID 101077313
2-[(6-benzyl-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]-N,N-dimethylethanamine
CID 14895667
(2R)-2-hydroxy-N,N-dimethyl-2-(1,7,7-trimethyl-2-phenyl-2-bicyclo[2.2.1]heptanyl)acetamide
CID 70252297
3-[(2-benzyl-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]-N,N-diethylpropan-1-amine;(E)-but-2-enedioic acid
CID 70549006
(1'R,3aR,4S,4'R,5R,6R,7S,7aS)-1',7',7'-trimethyl-4,5,6,7-tetrakis(phenylmethoxy)spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,2'-bicyclo[2.2.1]heptane]
CID 14505233
(1R,2S,4R)-1,7,7-trimethyl-2-(4-phenylmethoxybut-1-ynyl)bicyclo[2.2.1]heptan-2-ol
CID 11077850
(1Z,5Z)-cycloocta-1,5-diene;diphenyl-[[(1R,2R,4R)-1,7,7-trimethyl-2-pyridin-2-yl-2-bicyclo[2.2.1]heptanyl]oxy]phosphane;rhodium;tetrafluoroborate
CID 11083087

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[(1R,2R,4S)-1,7,7-trimethyl-2-phenyl-2-bicyclo[2.2.1]heptanyl]oxy]ethanamine?
The IUPAC name of N,N-dimethyl-2-[[(1R,2R,4S)-1,7,7-trimethyl-2-phenyl-2-bicyclo[2.2.1]heptanyl]oxy]ethanamine (CID 98050284) is N,N-dimethyl-2-[[(1R,2R,4S)-1,7,7-trimethyl-2-phenyl-2-bicyclo[2.2.1]heptanyl]oxy]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[[(1R,2R,4S)-1,7,7-trimethyl-2-phenyl-2-bicyclo[2.2.1]heptanyl]oxy]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[[(1R,2R,4S)-1,7,7-trimethyl-2-phenyl-2-bicyclo[2.2.1]heptanyl]oxy]ethanamine is CN(C)CCO[C@@]1(c2ccccc2)C[C@@H]2CC[C@]1(C)C2(C)C.
What is the InChIKey of N,N-dimethyl-2-[[(1R,2R,4S)-1,7,7-trimethyl-2-phenyl-2-bicyclo[2.2.1]heptanyl]oxy]ethanamine?
The InChIKey is QOBGWWQAMAPULA-DFQSSKMNSA-N. The full InChI is InChI=1S/C20H31NO/c1-18(2)17-11-12-19(18,3)20(15-17,22-14-13-21(4)5)16-9-7-6-8-10-16/h6-10,17H,11-15H2,1-5H3/t17-,19+,20+/m0/s1.
What are the key properties of N,N-dimethyl-2-[[(1R,2R,4S)-1,7,7-trimethyl-2-phenyl-2-bicyclo[2.2.1]heptanyl]oxy]ethanamine?
N,N-dimethyl-2-[[(1R,2R,4S)-1,7,7-trimethyl-2-phenyl-2-bicyclo[2.2.1]heptanyl]oxy]ethanamine has a molecular weight of 301.47 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[(1R,2R,4S)-1,7,7-trimethyl-2-phenyl-2-bicyclo[2.2.1]heptanyl]oxy]ethanamine is sourced from PubChem (CID 98050284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).