Dextromethorphan

Name: Dextromethorphan — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₈H₂₅NO — CID 5360696

💊View drug profile → dextromethorphan

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC(1S,9S,10S)-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene

SMILESCOc1ccc2c(c1)[C@]13CCCC[C@@H]1[C@H](C2)N(C)CC3

InChIInChI=1S/C18H25NO/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18/h6-7,12,15,17H,3-5,8-11H2,1-2H3/t15-,17+,18+/m1/s1

InChIKeyMKXZASYAUGDDCJ-NJAFHUGGSA-N

MW271.40 g/mol

LogP3.38

Rot. Bonds1

About Dextromethorphan

Dextromethorphan (PubChem CID 5360696) has the molecular formula C₁₈H₂₅NO and a molecular weight of 271.40 g/mol. Its IUPAC name is (1S,9S,10S)-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene.

Molecular Properties

Compound Name	Dextromethorphan
PubChem CID	5360696
Molecular Formula	C₁₈H₂₅NO
Molecular Weight	271.40 g/mol
Exact Mass	271.19
IUPAC Name	(1S,9S,10S)-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
SMILES	COc1ccc2c(c1)[C@]13CCCC[C@@H]1[C@H](C2)N(C)CC3
InChI	InChI=1S/C18H25NO/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18/h6-7,12,15,17H,3-5,8-11H2,1-2H3/t15-,17+,18+/m1/s1
InChIKey	MKXZASYAUGDDCJ-NJAFHUGGSA-N
XLogP	3.38
TPSA	12.47 Å²
H-Bond Donors
H-Bond Acceptors	2
Rotatable Bonds	1
Heavy Atoms	20
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	271.40
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Related Compounds

Frequently Asked Questions

What is the IUPAC name of Dextromethorphan?

The IUPAC name of Dextromethorphan (CID 5360696) is (1S,9S,10S)-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene.

What is the SMILES notation for Dextromethorphan?

The canonical SMILES for Dextromethorphan is COc1ccc2c(c1)[C@]13CCCC[C@@H]1[C@H](C2)N(C)CC3.

What is the InChIKey of Dextromethorphan?

The InChIKey is MKXZASYAUGDDCJ-NJAFHUGGSA-N. The full InChI is InChI=1S/C18H25NO/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18/h6-7,12,15,17H,3-5,8-11H2,1-2H3/t15-,17+,18+/m1/s1.

What are the key properties of Dextromethorphan?

Dextromethorphan has a molecular weight of 271.40 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Dextromethorphan is sourced from PubChem (CID 5360696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules: D · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 5360696 — identifiers, structure, computed properties (public domain)
DrugCentral drug card 842 — approved-drug record (CC BY-SA 4.0)

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