N,N-dimethyl-2-[(4,7,7-trimethyl-3-phenyl-2-bicyclo[2.2.1]heptanyl)oxy]ethanamine

C20H31NO — CID 11266608

IUPACN,N-dimethyl-2-[(4,7,7-trimethyl-3-phenyl-2-bicyclo[2.2.1]heptanyl)oxy]ethanamine
SMILESCN(C)CCOC1C2CCC(C)(C1c1ccccc1)C2(C)C
InChIInChI=1S/C20H31NO/c1-19(2)16-11-12-20(19,3)17(15-9-7-6-8-10-15)18(16)22-14-13-21(4)5/h6-10,16-18H,11-14H2,1-5H3
InChIKeyINXPJLBGUCXSKC-UHFFFAOYSA-N
MW301.47 g/mol
LogP4.17
Rot. Bonds5

About N,N-dimethyl-2-[(4,7,7-trimethyl-3-phenyl-2-bicyclo[2.2.1]heptanyl)oxy]ethanamine

N,N-dimethyl-2-[(4,7,7-trimethyl-3-phenyl-2-bicyclo[2.2.1]heptanyl)oxy]ethanamine (PubChem CID 11266608) has the molecular formula C20H31NO and a molecular weight of 301.47 g/mol. Its IUPAC name is N,N-dimethyl-2-[(4,7,7-trimethyl-3-phenyl-2-bicyclo[2.2.1]heptanyl)oxy]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[(4,7,7-trimethyl-3-phenyl-2-bicyclo[2.2.1]heptanyl)oxy]ethanamine
PubChem CID11266608
Molecular FormulaC20H31NO
Molecular Weight301.47 g/mol
Exact Mass301.24
IUPAC NameN,N-dimethyl-2-[(4,7,7-trimethyl-3-phenyl-2-bicyclo[2.2.1]heptanyl)oxy]ethanamine
SMILESCN(C)CCOC1C2CCC(C)(C1c1ccccc1)C2(C)C
InChIInChI=1S/C20H31NO/c1-19(2)16-11-12-20(19,3)17(15-9-7-6-8-10-15)18(16)22-14-13-21(4)5/h6-10,16-18H,11-14H2,1-5H3
InChIKeyINXPJLBGUCXSKC-UHFFFAOYSA-N
XLogP4.17
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 ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(4,7,7-trimethyl-3-phenyl-2-bicyclo[2.2.1]heptanyl)oxy]ethanamine?
The IUPAC name of N,N-dimethyl-2-[(4,7,7-trimethyl-3-phenyl-2-bicyclo[2.2.1]heptanyl)oxy]ethanamine (CID 11266608) is N,N-dimethyl-2-[(4,7,7-trimethyl-3-phenyl-2-bicyclo[2.2.1]heptanyl)oxy]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[(4,7,7-trimethyl-3-phenyl-2-bicyclo[2.2.1]heptanyl)oxy]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[(4,7,7-trimethyl-3-phenyl-2-bicyclo[2.2.1]heptanyl)oxy]ethanamine is CN(C)CCOC1C2CCC(C)(C1c1ccccc1)C2(C)C.
What is the InChIKey of N,N-dimethyl-2-[(4,7,7-trimethyl-3-phenyl-2-bicyclo[2.2.1]heptanyl)oxy]ethanamine?
The InChIKey is INXPJLBGUCXSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO/c1-19(2)16-11-12-20(19,3)17(15-9-7-6-8-10-15)18(16)22-14-13-21(4)5/h6-10,16-18H,11-14H2,1-5H3.
What are the key properties of N,N-dimethyl-2-[(4,7,7-trimethyl-3-phenyl-2-bicyclo[2.2.1]heptanyl)oxy]ethanamine?
N,N-dimethyl-2-[(4,7,7-trimethyl-3-phenyl-2-bicyclo[2.2.1]heptanyl)oxy]ethanamine has a molecular weight of 301.47 g/mol, XLogP of 4.17, 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-[(4,7,7-trimethyl-3-phenyl-2-bicyclo[2.2.1]heptanyl)oxy]ethanamine is sourced from PubChem (CID 11266608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).