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Dimemorfan

C18H25N — CID 3037918

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Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC(1S,9S,10S)-4,17-dimethyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
SMILESCc1ccc2c(c1)[C@]13CCCC[C@@H]1[C@H](C2)N(C)CC3
InChIInChI=1S/C18H25N/c1-13-6-7-14-12-17-15-5-3-4-8-18(15,16(14)11-13)9-10-19(17)2/h6-7,11,15,17H,3-5,8-10,12H2,1-2H3/t15-,17+,18+/m1/s1
InChIKeyKBEZZLAAKIIPFK-NJAFHUGGSA-N
MW255.40 g/mol
LogP3.68
Rot. Bonds

About Dimemorfan

Dimemorfan (PubChem CID 3037918) has the molecular formula C18H25N and a molecular weight of 255.40 g/mol. Its IUPAC name is (1S,9S,10S)-4,17-dimethyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene.

Molecular Properties

Compound NameDimemorfan
PubChem CID3037918
Molecular FormulaC18H25N
Molecular Weight255.40 g/mol
Exact Mass255.20
IUPAC Name(1S,9S,10S)-4,17-dimethyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
SMILESCc1ccc2c(c1)[C@]13CCCC[C@@H]1[C@H](C2)N(C)CC3
InChIInChI=1S/C18H25N/c1-13-6-7-14-12-17-15-5-3-4-8-18(15,16(14)11-13)9-10-19(17)2/h6-7,11,15,17H,3-5,8-10,12H2,1-2H3/t15-,17+,18+/m1/s1
InChIKeyKBEZZLAAKIIPFK-NJAFHUGGSA-N
XLogP3.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,6,11-Trimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocine
CID 3041078
(S)-5-phenyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 11186985
17-Methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-triene
CID 617841
(R)-6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
CID 10421583
(1R,9R,13R)-10-benzyl-13-methyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene
CID 10333740
(4aR,10bR)-3-cyclohexyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]isoquinoline;hydrochloride
CID 45260529
(4aR,10bR)-3-(2-phenylethyl)-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]isoquinoline;hydrochloride
CID 45264284
(8-Phenyl-1,2,3,4-tetrahydro-naphthalen-2-yl)-dipropyl-amine
CID 10018111

Frequently Asked Questions

What is the IUPAC name of Dimemorfan?
The IUPAC name of Dimemorfan (CID 3037918) is (1S,9S,10S)-4,17-dimethyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene.
What is the SMILES notation for Dimemorfan?
The canonical SMILES for Dimemorfan is Cc1ccc2c(c1)[C@]13CCCC[C@@H]1[C@H](C2)N(C)CC3.
What is the InChIKey of Dimemorfan?
The InChIKey is KBEZZLAAKIIPFK-NJAFHUGGSA-N. The full InChI is InChI=1S/C18H25N/c1-13-6-7-14-12-17-15-5-3-4-8-18(15,16(14)11-13)9-10-19(17)2/h6-7,11,15,17H,3-5,8-10,12H2,1-2H3/t15-,17+,18+/m1/s1.
What are the key properties of Dimemorfan?
Dimemorfan has a molecular weight of 255.40 g/mol, XLogP of 3.68, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Dimemorfan is sourced from PubChem (CID 3037918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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