UJAIFVSAWUNCHB-UHFFFAOYSA-N

Name: UJAIFVSAWUNCHB-UHFFFAOYSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₂H₁₇Cl₂NO — CID 86666923

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

IUPAC1-(5-chloro-3-ethenyl-2-methoxy-4-methylphenyl)ethanamine;hydrochloride

SMILESC=Cc1c(C)c(Cl)cc(C(C)N)c1OC.Cl

InChIInChI=1S/C12H16ClNO.ClH/c1-5-9-7(2)11(13)6-10(8(3)14)12(9)15-4;/h5-6,8H,1,14H2,2-4H3;1H

InChIKeyUJAIFVSAWUNCHB-UHFFFAOYSA-N

MW262.18 g/mol

LogP3.74

Rot. Bonds3

About UJAIFVSAWUNCHB-UHFFFAOYSA-N

UJAIFVSAWUNCHB-UHFFFAOYSA-N (PubChem CID 86666923) has the molecular formula C₁₂H₁₇Cl₂NO and a molecular weight of 262.18 g/mol. Its IUPAC name is 1-(5-chloro-3-ethenyl-2-methoxy-4-methylphenyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name	UJAIFVSAWUNCHB-UHFFFAOYSA-N
PubChem CID	86666923
Molecular Formula	C₁₂H₁₇Cl₂NO
Molecular Weight	262.18 g/mol
Exact Mass	261.07
IUPAC Name	1-(5-chloro-3-ethenyl-2-methoxy-4-methylphenyl)ethanamine;hydrochloride
SMILES	C=Cc1c(C)c(Cl)cc(C(C)N)c1OC.Cl
InChI	InChI=1S/C12H16ClNO.ClH/c1-5-9-7(2)11(13)6-10(8(3)14)12(9)15-4;/h5-6,8H,1,14H2,2-4H3;1H
InChIKey	UJAIFVSAWUNCHB-UHFFFAOYSA-N
XLogP	3.74
TPSA	35.25 Å²
H-Bond Donors	1
H-Bond Acceptors	2
Rotatable Bonds	3
Heavy Atoms	16
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	262.18
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of UJAIFVSAWUNCHB-UHFFFAOYSA-N?

The IUPAC name of UJAIFVSAWUNCHB-UHFFFAOYSA-N (CID 86666923) is 1-(5-chloro-3-ethenyl-2-methoxy-4-methylphenyl)ethanamine;hydrochloride.

What is the SMILES notation for UJAIFVSAWUNCHB-UHFFFAOYSA-N?

The canonical SMILES for UJAIFVSAWUNCHB-UHFFFAOYSA-N is C=Cc1c(C)c(Cl)cc(C(C)N)c1OC.Cl.

What is the InChIKey of UJAIFVSAWUNCHB-UHFFFAOYSA-N?

The InChIKey is UJAIFVSAWUNCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO.ClH/c1-5-9-7(2)11(13)6-10(8(3)14)12(9)15-4;/h5-6,8H,1,14H2,2-4H3;1H.

What are the key properties of UJAIFVSAWUNCHB-UHFFFAOYSA-N?

UJAIFVSAWUNCHB-UHFFFAOYSA-N has a molecular weight of 262.18 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for UJAIFVSAWUNCHB-UHFFFAOYSA-N is sourced from PubChem (CID 86666923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 86666923 — identifiers, structure, computed properties (public domain)

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