(1R)-1-methyl-10-(2-phenylethyl)-10-azatetracyclo[10.2.2.02,7.09,14]hexadeca-2(7),3,5-trien-4-ol

C24H29NO — CID 12880330

IUPAC(1R)-1-methyl-10-(2-phenylethyl)-10-azatetracyclo[10.2.2.02,7.09,14]hexadeca-2(7),3,5-trien-4-ol
SMILESC[C@@]12CCC3CC1C(Cc1ccc(O)cc12)N(CCc1ccccc1)C3
InChIInChI=1S/C24H29NO/c1-24-11-9-18-13-22(24)23(14-19-7-8-20(26)15-21(19)24)25(16-18)12-10-17-5-3-2-4-6-17/h2-8,15,18,22-23,26H,9-14,16H2,1H3/t18?,22?,23?,24-/m0/s1
InChIKeyDSUDDIJZERTOHI-OIYWLGGTSA-N
MW347.50 g/mol
LogP4.55
Rot. Bonds3

About (1R)-1-methyl-10-(2-phenylethyl)-10-azatetracyclo[10.2.2.02,7.09,14]hexadeca-2(7),3,5-trien-4-ol

(1R)-1-methyl-10-(2-phenylethyl)-10-azatetracyclo[10.2.2.02,7.09,14]hexadeca-2(7),3,5-trien-4-ol (PubChem CID 12880330) has the molecular formula C24H29NO and a molecular weight of 347.50 g/mol. Its IUPAC name is (1R)-1-methyl-10-(2-phenylethyl)-10-azatetracyclo[10.2.2.02,7.09,14]hexadeca-2(7),3,5-trien-4-ol.

Molecular Properties

Compound Name(1R)-1-methyl-10-(2-phenylethyl)-10-azatetracyclo[10.2.2.02,7.09,14]hexadeca-2(7),3,5-trien-4-ol
PubChem CID12880330
Molecular FormulaC24H29NO
Molecular Weight347.50 g/mol
Exact Mass347.22
IUPAC Name(1R)-1-methyl-10-(2-phenylethyl)-10-azatetracyclo[10.2.2.02,7.09,14]hexadeca-2(7),3,5-trien-4-ol
SMILESC[C@@]12CCC3CC1C(Cc1ccc(O)cc12)N(CCc1ccccc1)C3
InChIInChI=1S/C24H29NO/c1-24-11-9-18-13-22(24)23(14-19-7-8-20(26)15-21(19)24)25(16-18)12-10-17-5-3-2-4-6-17/h2-8,15,18,22-23,26H,9-14,16H2,1H3/t18?,22?,23?,24-/m0/s1
InChIKeyDSUDDIJZERTOHI-OIYWLGGTSA-N
XLogP4.55
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-methyl-10-(2-phenylethyl)-10-azatetracyclo[10.2.2.02,7.09,14]hexadeca-2(7),3,5-trien-4-ol?
The IUPAC name of (1R)-1-methyl-10-(2-phenylethyl)-10-azatetracyclo[10.2.2.02,7.09,14]hexadeca-2(7),3,5-trien-4-ol (CID 12880330) is (1R)-1-methyl-10-(2-phenylethyl)-10-azatetracyclo[10.2.2.02,7.09,14]hexadeca-2(7),3,5-trien-4-ol.
What is the SMILES notation for (1R)-1-methyl-10-(2-phenylethyl)-10-azatetracyclo[10.2.2.02,7.09,14]hexadeca-2(7),3,5-trien-4-ol?
The canonical SMILES for (1R)-1-methyl-10-(2-phenylethyl)-10-azatetracyclo[10.2.2.02,7.09,14]hexadeca-2(7),3,5-trien-4-ol is C[C@@]12CCC3CC1C(Cc1ccc(O)cc12)N(CCc1ccccc1)C3.
What is the InChIKey of (1R)-1-methyl-10-(2-phenylethyl)-10-azatetracyclo[10.2.2.02,7.09,14]hexadeca-2(7),3,5-trien-4-ol?
The InChIKey is DSUDDIJZERTOHI-OIYWLGGTSA-N. The full InChI is InChI=1S/C24H29NO/c1-24-11-9-18-13-22(24)23(14-19-7-8-20(26)15-21(19)24)25(16-18)12-10-17-5-3-2-4-6-17/h2-8,15,18,22-23,26H,9-14,16H2,1H3/t18?,22?,23?,24-/m0/s1.
What are the key properties of (1R)-1-methyl-10-(2-phenylethyl)-10-azatetracyclo[10.2.2.02,7.09,14]hexadeca-2(7),3,5-trien-4-ol?
(1R)-1-methyl-10-(2-phenylethyl)-10-azatetracyclo[10.2.2.02,7.09,14]hexadeca-2(7),3,5-trien-4-ol has a molecular weight of 347.50 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-methyl-10-(2-phenylethyl)-10-azatetracyclo[10.2.2.02,7.09,14]hexadeca-2(7),3,5-trien-4-ol is sourced from PubChem (CID 12880330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).