(1R,9S)-13-methoxy-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10(15),11,13-hexaene

C17H17NO — CID 15628560

IUPAC(1R,9S)-13-methoxy-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10(15),11,13-hexaene
SMILESCOc1ccc2c(c1)[C@]1(C)N[C@H]2Cc2ccccc21
InChIInChI=1S/C17H17NO/c1-17-14-6-4-3-5-11(14)9-16(18-17)13-8-7-12(19-2)10-15(13)17/h3-8,10,16,18H,9H2,1-2H3/t16-,17+/m0/s1
InChIKeyPEUHCVNUHUPGFB-DLBZAZTESA-N
MW251.33 g/mol
LogP3.16
Rot. Bonds1

About (1R,9S)-13-methoxy-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10(15),11,13-hexaene

(1R,9S)-13-methoxy-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10(15),11,13-hexaene (PubChem CID 15628560) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is (1R,9S)-13-methoxy-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10(15),11,13-hexaene.

Molecular Properties

Compound Name(1R,9S)-13-methoxy-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10(15),11,13-hexaene
PubChem CID15628560
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name(1R,9S)-13-methoxy-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10(15),11,13-hexaene
SMILESCOc1ccc2c(c1)[C@]1(C)N[C@H]2Cc2ccccc21
InChIInChI=1S/C17H17NO/c1-17-14-6-4-3-5-11(14)9-16(18-17)13-8-7-12(19-2)10-15(13)17/h3-8,10,16,18H,9H2,1-2H3/t16-,17+/m0/s1
InChIKeyPEUHCVNUHUPGFB-DLBZAZTESA-N
XLogP3.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,9S)-13-methoxy-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10(15),11,13-hexaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

13-bromo-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10(15),11,13-hexaene
CID 13194167
13-methoxy-17-azatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10(15),11,13-hexaene-1-carboxamide;hydrochloride
CID 25149074
(1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaen-4-yl)methanol
CID 15628573
(Z)-but-2-enedioic acid;5-methoxy-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole;(1S,9R)-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene
CID 11664266
1-methyl-4-(trifluoromethylsulfanyl)-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaene
CID 15628565
(4bR,9bS)-8-methoxy-4b,6-dimethyl-9b,10-dihydro-5H-indeno[1,2-b]indole
CID 67733864
1,2-dimethyl-17-azatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaene
CID 23051140
1,5-dimethyl-17-azatetracyclo[8.6.1.03,8.011,16]heptadeca-3(8),4,6,11,13,15-hexaene
CID 23051143
5-methoxy-N,N,3,3-tetramethyl-1,2-dihydroinden-2-amine;hydrochloride
CID 70557198
8-methoxy-3,3-dimethyl-2,4,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazine
CID 43174723
9-methoxy-5,5a,6,10b-tetrahydroindeno[2,1-b]indole
CID 22408501
6-methoxy-1-(3-methoxyphenyl)-4,4-dimethyl-2,3-dihydro-1H-isoquinoline
CID 112513040

Frequently Asked Questions

What is the IUPAC name of (1R,9S)-13-methoxy-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10(15),11,13-hexaene?
The IUPAC name of (1R,9S)-13-methoxy-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10(15),11,13-hexaene (CID 15628560) is (1R,9S)-13-methoxy-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10(15),11,13-hexaene.
What is the SMILES notation for (1R,9S)-13-methoxy-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10(15),11,13-hexaene?
The canonical SMILES for (1R,9S)-13-methoxy-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10(15),11,13-hexaene is COc1ccc2c(c1)[C@]1(C)N[C@H]2Cc2ccccc21.
What is the InChIKey of (1R,9S)-13-methoxy-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10(15),11,13-hexaene?
The InChIKey is PEUHCVNUHUPGFB-DLBZAZTESA-N. The full InChI is InChI=1S/C17H17NO/c1-17-14-6-4-3-5-11(14)9-16(18-17)13-8-7-12(19-2)10-15(13)17/h3-8,10,16,18H,9H2,1-2H3/t16-,17+/m0/s1.
What are the key properties of (1R,9S)-13-methoxy-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10(15),11,13-hexaene?
(1R,9S)-13-methoxy-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10(15),11,13-hexaene has a molecular weight of 251.33 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,9S)-13-methoxy-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10(15),11,13-hexaene is sourced from PubChem (CID 15628560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).